data_2m65_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 2m65 _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 11' ' ' HIS . . . . . 0.46 ' CD2' ' H ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.816 0.341 . . . . 0.0 110.342 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.541 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 7.0 mp -94.57 174.67 7.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.216 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.501 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -61.7 150.91 35.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.16 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 1.1 m-20 -67.44 147.31 98.83 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.952 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.42 ' O ' ' OG1' ' A' ' 19' ' ' THR . 72.8 Cg_exo -41.1 -46.75 5.23 Favored 'Trans proline' 0 N--CA 1.49 1.32 0 C-N-CA 122.379 2.053 . . . . 0.0 112.395 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.3 -46.7 48.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.351 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 mm -48.47 -39.39 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.587 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.404 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 33.5 t80 -71.66 -56.32 6.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.751 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -54.36 -64.32 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.646 -179.823 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.7 m -46.72 -42.66 17.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.59 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.513 ' OD1' ' CD1' ' A' ' 32' ' ' TYR . 6.6 t30 -62.19 -52.27 64.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.715 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -84.4 17.54 2.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.608 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -50.09 95.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.528 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -46.36 118.26 1.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.59 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.83 68.32 0.79 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 pt -108.12 -165.92 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.848 0.356 . . . . 0.0 110.684 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.92 -27.62 0.02 OUTLIER Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.441 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 0.0 OUTLIER -172.02 120.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.374 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.441 ' CG ' ' O ' ' A' ' 28' ' ' ARG . 14.2 m-70 -164.7 -86.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.548 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -172.94 110.91 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.694 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.9 p -47.04 143.35 3.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.754 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.513 ' CD1' ' OD1' ' A' ' 21' ' ' ASN . 0.7 OUTLIER -118.6 142.4 47.67 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.649 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.7 tp -139.15 110.87 7.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.482 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.21 110.25 21.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.253 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.454 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 36.2 p90 -101.3 134.56 44.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -120.65 129.17 53.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.182 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.454 ' CB ' ' ND1' ' A' ' 51' ' ' HIS . 12.3 t -104.26 131.01 54.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.943 0.401 . . . . 0.0 110.799 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -143.73 152.06 40.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.369 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -107.51 140.54 40.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.431 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 mp -99.21 121.25 40.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.53 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -136.16 102.21 4.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.552 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.5 ' C ' ' H ' ' A' ' 44' ' ' THR . 59.7 t30 52.63 54.69 10.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.532 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.27 -8.88 1.84 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.5 ' H ' ' C ' ' A' ' 42' ' ' ASN . 0.2 OUTLIER -90.57 100.61 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.519 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 m -84.53 117.06 23.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.577 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.2 t -100.77 105.79 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.9 mttp -69.75 126.37 29.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.597 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 6.6 mtt -80.02 147.15 31.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.475 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.68 -50.15 5.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.57 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -102.2 71.65 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.485 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.454 ' ND1' ' CB ' ' A' ' 37' ' ' VAL . 31.9 t-80 -166.76 -12.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.647 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.519 ' NH2' ' O ' ' A' ' 164' ' ' THR . 14.2 ptt85 -100.88 170.72 8.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.609 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.454 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . -179.52 -173.32 44.54 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.479 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 9.2 p90 -144.4 153.32 41.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 0.0 110.703 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mp -128.42 178.48 6.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.645 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.422 ' O ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -150.86 137.66 18.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.457 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.461 ' C ' ' ND2' ' A' ' 57' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.662 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.62 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.889 0.376 . . . . 0.0 110.615 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.0 -37.24 81.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.428 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -50.88 -45.41 60.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.2 mt -71.27 -60.15 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.682 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.6 mtp85 -51.46 -21.61 2.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.439 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 3.7 t80 -75.63 -64.65 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.661 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 tp -49.82 -19.89 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.952 0.406 . . . . 0.0 110.787 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -15.92 10.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.612 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.465 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.1 OUTLIER -95.6 -8.91 33.63 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -178.65 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.563 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -58.93 -42.26 93.04 Favored Pre-proline 0 CA--C 1.53 0.206 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.914 -179.447 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 16.6 Cg_exo -64.47 -20.49 66.07 Favored 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.368 2.045 . . . . 0.0 111.852 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.5 t -87.55 -11.31 49.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.804 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.7 mt -99.14 -15.74 18.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.654 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 41.23 52.89 3.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.629 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.9 mt -38.75 155.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.762 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.508 ' C ' ' H ' ' A' ' 87' ' ' ALA . 62.1 m-20 -116.07 85.31 14.95 Favored Pre-proline 0 CA--C 1.531 0.227 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.501 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -49.1 -7.38 0.07 OUTLIER 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.326 2.017 . . . . 0.0 112.415 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.508 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -42.07 -35.57 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.22 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.522 ' NE2' ' H ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -129.84 -170.88 2.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.235 179.79 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.4 mm -90.72 155.93 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 110.587 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -134.88 166.44 22.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.573 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -140.93 103.66 4.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.564 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.38 117.16 42.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.088 179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.2 m -101.11 122.46 43.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.064 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 18.7 m0 -100.6 131.8 46.32 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.453 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.593 ' CE1' ' SG ' ' A' ' 161' ' ' CYS . 47.5 m-85 -123.95 102.75 7.94 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.97 141.07 29.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.961 -178.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 5.6 p -96.95 -24.36 15.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.75 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -114.07 133.85 55.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.537 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.32 163.12 1.01 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.565 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -70.64 172.95 12.49 Favored 'Trans proline' 0 C--N 1.31 -1.489 0 C-N-CA 122.559 2.173 . . . . 0.0 112.216 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.584 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 30.6 p -107.77 -131.73 0.31 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.551 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.584 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -56.22 99.69 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.391 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.486 ' OG ' ' SD ' ' A' ' 142' ' ' MET . 48.0 t -38.55 -25.17 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.804 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.521 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -85.28 -32.59 22.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.484 -179.479 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -78.02 -62.22 2.38 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.21 -69.13 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.733 0.301 . . . . 0.0 111.148 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.32 -54.76 23.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.77 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -42.17 -55.06 4.39 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.16 -49.12 23.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.285 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.12 -50.65 76.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.706 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -41.8 -59.36 1.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.505 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.52 -40.41 68.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.413 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 117' ' ' ASN . 7.4 t80 -52.75 -48.83 66.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.449 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.429 ' C ' ' N ' ' A' ' 116' ' ' GLU . 17.9 mt -68.53 -53.85 20.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.424 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -46.68 -20.33 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.435 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.438 ' C ' HD21 ' A' ' 117' ' ' ASN . 0.7 OUTLIER -110.36 -30.37 7.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.035 -179.813 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.482 ' C ' ' H ' ' A' ' 119' ' ' HIS . 1.9 m-80 -131.42 53.94 1.95 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.911 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.31 4.6 0.69 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.753 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.482 ' H ' ' C ' ' A' ' 117' ' ' ASN . 9.3 p80 -82.14 12.05 4.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.878 0.37 . . . . 0.0 110.467 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.0 m -132.31 134.61 59.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.537 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -91.4 116.3 28.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.056 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.94 119.76 39.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.07 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -106.85 123.75 48.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.659 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 21.3 mm -104.71 128.16 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.026 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -126.84 114.38 17.83 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.011 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -97.44 109.86 22.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.06 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -81.82 -42.92 18.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -135.94 141.56 44.51 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.904 0.383 . . . . 0.0 110.734 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.518 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 0.5 OUTLIER -99.21 125.29 52.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.671 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 4.5 m-85 -172.62 119.68 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.44 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -153.65 -166.06 2.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.613 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -86.65 -31.71 20.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.63 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.98 162.33 44.04 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.471 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.437 ' C ' ' N ' ' A' ' 136' ' ' TYR . 39.0 Cg_endo -69.72 3.8 2.54 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.579 2.186 . . . . 0.0 112.07 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 tp -45.29 -20.25 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.504 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.437 ' N ' ' C ' ' A' ' 134' ' ' PRO . 0.0 OUTLIER -44.66 -25.72 0.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.424 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -61.37 -59.99 4.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.353 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.32 -29.1 57.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.269 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.23 -38.09 89.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.322 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.2 mp -68.24 -39.72 82.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.517 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -73.73 -60.63 2.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.541 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.486 ' SD ' ' OG ' ' A' ' 103' ' ' SER . 3.2 ttm -44.8 -37.72 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.559 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.3 -40.04 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -52.64 -41.89 64.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.516 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.35 -3.13 15.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.555 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -90.35 -24.05 20.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.548 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 101.25 -19.08 52.84 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -54.63 159.85 2.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.788 0.328 . . . . 0.0 110.57 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . 0.423 ' OE1' ' O ' ' A' ' 149' ' ' GLN . 0.6 OUTLIER -98.07 107.1 19.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.572 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 12.4 p -100.73 120.87 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.13 161.31 42.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.547 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.1 tp -88.11 138.03 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.585 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.543 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 2.5 ttt -42.65 135.37 2.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.621 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.57 162.1 16.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.555 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -57.06 -47.43 80.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.699 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -56.31 -38.74 71.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.555 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . 0.49 ' O ' ' SG ' ' A' ' 161' ' ' CYS . 91.0 mt-10 -69.53 -32.0 70.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.63 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.543 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.5 OUTLIER -63.39 -44.65 94.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.584 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.74 -50.27 71.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.776 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . 0.505 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -64.82 -57.8 7.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.695 -179.843 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.593 ' SG ' ' CE1' ' A' ' 95' ' ' PHE . 83.9 m -51.99 -33.05 36.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.83 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' TRP . . . . . 0.544 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 6.7 t-105 -64.17 -70.13 0.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.972 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . 0.545 ' OD1' ' ND1' ' A' ' 168' ' ' HIS . 73.2 m-20 -58.52 -17.08 18.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.603 0.24 . . . . 0.0 111.135 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.519 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 36.7 m -86.68 -43.24 12.75 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.752 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.501 ' O ' ' SD ' ' A' ' 13' ' ' MET . 48.2 m-85 -98.46 19.4 14.55 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.48 ' C ' ' H ' ' A' ' 168' ' ' HIS . 94.3 t -137.56 147.09 26.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.925 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . 0.528 ' C ' ' H ' ' A' ' 169' ' ' GLN . 0.4 OUTLIER -80.84 35.2 0.36 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.445 0.641 . . . . 0.0 109.357 179.219 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.586 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -45.49 -13.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.931 -179.596 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . 0.528 ' H ' ' C ' ' A' ' 167' ' ' ASP . 29.0 mt-30 48.06 12.96 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.909 0.385 . . . . 0.0 110.455 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . 0.586 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 113.98 50.54 0.51 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . 0.524 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.0 OUTLIER -127.16 150.4 72.14 Favored Pre-proline 0 CA--C 1.537 0.451 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 179.709 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -77.03 172.53 16.0 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 122.434 2.089 . . . . 0.0 112.864 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -91.43 150.71 21.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.107 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -110.2 94.3 17.9 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.819 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -81.38 145.0 14.74 Favored 'Trans proline' 0 N--CA 1.49 1.27 0 C-N-CA 122.158 1.905 . . . . 0.0 112.195 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' TRP . . . . . 0.484 ' HE1' ' CD2' ' A' ' 182' ' ' HIS . 0.2 OUTLIER -72.56 167.3 20.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.319 179.766 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.42 86.48 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 110.663 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 150.04 50.4 0.02 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 6.3 mp -77.47 -49.31 15.05 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.554 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . 0.408 ' O ' ' CG ' ' A' ' 184' ' ' GLN . 3.6 t0 -59.2 -22.35 60.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.866 0.365 . . . . 0.0 110.299 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -78.75 -61.78 1.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.18 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 182' ' ' HIS . . . . . 0.519 ' C ' ' ND1' ' A' ' 182' ' ' HIS . 0.3 OUTLIER -66.93 -32.53 73.85 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.974 -179.362 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 183' ' ' SER . . . . . 0.405 ' N ' ' ND1' ' A' ' 182' ' ' HIS . 85.0 p -67.51 -53.48 28.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.481 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . 0.408 ' CG ' ' O ' ' A' ' 180' ' ' ASP . 37.3 mm-40 -60.7 -35.11 75.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.498 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -64.55 -64.48 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.538 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 11.5 mt -54.23 -58.2 8.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.515 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 74.3 m -47.66 -37.25 12.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.53 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -64.18 -35.21 91.69 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 189' ' ' ARG . . . . . 0.624 ' CA ' ' HE ' ' A' ' 189' ' ' ARG . 0.0 OUTLIER -65.83 -56.91 9.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.328 . . . . 0.0 110.427 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.2 tt -47.67 -56.14 7.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.398 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.05 -49.44 16.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.452 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -47.2 -52.82 14.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.578 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . 0.442 ' CD1' ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -63.75 -30.16 49.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.567 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.542 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.0 t60 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.8 0.333 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.588 ' CD2' ' N ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -107.59 173.41 6.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.161 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 63.4 mtm -71.8 156.92 38.77 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.25 139.16 92.2 Favored Pre-proline 0 CA--C 1.537 0.469 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.403 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.408 ' O ' ' OG1' ' A' ' 19' ' ' THR . 77.7 Cg_exo -40.5 -54.25 2.37 Favored 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 122.113 1.875 . . . . 0.0 112.258 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -64.19 -47.46 79.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.973 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.415 ' O ' ' OD1' ' A' ' 21' ' ' ASN . 1.8 mm -48.87 -32.75 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.565 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -81.65 -60.43 2.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.607 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -50.88 -24.18 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.52 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 t -86.16 -42.24 14.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.566 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.649 HD21 ' NH2' ' A' ' 28' ' ' ARG . 10.6 m120 -73.36 -5.19 38.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.602 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -133.2 24.2 4.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.494 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -76.12 107.2 8.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.562 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -42.64 113.52 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.588 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.14 66.21 0.82 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -99.57 -176.36 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.598 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -165.42 1.49 0.05 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.649 ' NH2' HD21 ' A' ' 21' ' ' ASN . 0.2 OUTLIER -85.43 163.01 18.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 0.0 110.518 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -104.53 94.77 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.636 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -172.81 62.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.655 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 24.0 p -47.06 133.68 11.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -106.1 135.78 46.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.393 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.8 tp -134.51 107.75 7.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.328 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.59 ' SG ' ' CG ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -93.68 118.68 31.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.336 179.779 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.448 ' CE2' ' C ' ' A' ' 53' ' ' GLY . 25.9 p90 -107.17 134.04 50.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.522 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.441 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -127.78 129.41 46.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.169 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.47 ' CB ' ' ND1' ' A' ' 51' ' ' HIS . 86.3 t -99.34 125.93 52.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.969 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -138.27 157.04 47.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.316 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -126.33 142.55 51.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.474 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.1 mt -87.85 144.1 26.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.95 0.405 . . . . 0.0 110.691 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.32 103.16 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.599 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.42 25.06 13.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.519 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.42 -19.94 52.71 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 m -87.19 112.19 21.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.611 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 p -76.47 125.04 28.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.599 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.7 t -111.73 102.5 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.629 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.71 154.36 41.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.454 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -103.37 147.56 26.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.643 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 9.9 p-10 -91.31 -50.37 5.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.549 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.89 69.57 1.57 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.316 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.47 ' ND1' ' CB ' ' A' ' 37' ' ' VAL . 10.5 t-80 -171.51 9.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.463 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.536 HH22 ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -111.82 170.74 7.93 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.513 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.448 ' C ' ' CE2' ' A' ' 35' ' ' TYR . . . 176.85 -174.93 47.42 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -146.17 138.35 25.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.652 0.263 . . . . 0.0 110.725 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.4 mt -125.58 169.65 12.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.515 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.04 138.21 43.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.297 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 121.061 0.458 . . . . 0.0 110.875 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.476 ' NE2' ' CD1' ' A' ' 73' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.529 0.14 0 CA-C-O 120.978 0.418 . . . . 0.0 111.102 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 74' ' ' ARG . . . -80.95 -15.1 57.18 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.974 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.528 ' OE1' ' CZ3' ' A' ' 94' ' ' TRP . 2.2 mm-40 -41.05 -39.99 1.35 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.911 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.476 ' CD1' ' NE2' ' A' ' 70' ' ' HIS . 96.1 mt -71.03 -35.3 71.94 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.699 -0.4 . . . . 0.0 109.995 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 71' ' ' ALA . 0.5 OUTLIER -59.45 -24.24 63.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.983 179.545 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -81.14 -58.51 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.476 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.446 ' O ' ' CG2' ' A' ' 79' ' ' VAL . 5.0 mt -62.77 -19.74 64.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -55.44 -36.7 66.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.65 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 pp -79.83 4.71 15.71 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.235 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' A' ' 76' ' ' LEU . 4.3 t -42.48 -59.85 2.57 Favored Pre-proline 0 CA--C 1.534 0.342 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.245 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.29 -33.97 57.87 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 121.747 1.631 . . . . 0.0 111.883 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.487 ' H ' ' HG ' ' A' ' 81' ' ' SER . 0.7 OUTLIER -60.86 -9.13 3.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.678 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.8 mt -107.95 -46.54 3.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.375 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 65.76 49.53 1.7 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.074 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.32 131.52 48.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.247 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.35 159.66 30.69 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.538 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.419 ' O ' ' O ' ' A' ' 87' ' ' ALA . 54.6 Cg_endo -71.51 3.34 3.73 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.518 2.145 . . . . 0.0 112.372 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 86' ' ' PRO . . . -42.11 -94.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.701 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.669 ' NE2' ' H ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -93.66 -167.76 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.375 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -94.3 160.68 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.987 0.422 . . . . 0.0 110.257 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -128.57 140.67 51.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.939 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -125.1 108.09 11.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.312 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.1 t -103.24 124.82 57.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.037 0.446 . . . . 0.0 110.205 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.65 122.72 39.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.786 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.528 ' CZ3' ' OE1' ' A' ' 72' ' ' GLU . 16.3 m0 -103.36 131.88 50.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.523 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -124.8 102.95 7.81 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.9 138.34 39.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.415 -178.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 0.5 OUTLIER -94.73 -23.88 17.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.882 179.237 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.608 ' CZ3' ' CD2' ' A' ' 130' ' ' TYR . 20.8 m95 -114.23 136.44 52.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.488 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -51.28 162.69 0.62 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.626 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' A' ' 99' ' ' SER . 53.9 Cg_exo -42.34 172.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 122.658 2.239 . . . . 0.0 112.309 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.63 -34.81 3.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.355 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.504 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.2 OUTLIER -171.48 109.21 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.694 179.708 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.497 ' O ' ' SD ' ' A' ' 142' ' ' MET . 53.4 p -42.34 -36.56 1.3 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.795 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -84.64 -19.88 32.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.259 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -86.27 -65.33 1.42 Allowed Glycine 0 CA--C 1.526 0.761 0 C-N-CA 120.102 -1.047 . . . . 0.0 111.135 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.64 -69.51 0.58 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.747 0.308 . . . . 0.0 110.763 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.6 -20.82 8.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.015 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -68.83 -60.86 5.02 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.283 -1.127 . . . . 0.0 110.283 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -55.08 -23.1 18.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 110.284 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 88.3 t -72.62 -62.9 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.727 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.528 ' NH2' ' CE ' ' A' ' 142' ' ' MET . 6.7 ptt180 -53.74 -30.72 45.49 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.168 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.84 -48.72 77.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.245 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -64.84 -38.88 92.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 10.4 mp -74.62 -32.75 62.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.968 0.414 . . . . 0.0 110.727 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -62.14 -36.1 80.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.116 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -100.55 -4.93 27.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.926 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.558 ' C ' ' H ' ' A' ' 119' ' ' HIS . 14.1 t-20 -164.29 61.88 0.15 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.051 0.453 . . . . 0.0 110.943 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.29 2.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.254 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.558 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -75.75 3.03 10.63 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.427 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.423 ' CG1' ' O ' ' A' ' 120' ' ' VAL . 7.1 p -124.46 99.14 5.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.379 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -99.28 148.91 23.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.259 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.59 153.47 43.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.189 0.519 . . . . 0.0 111.644 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -107.12 135.79 48.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.067 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.7 mp -105.33 132.86 51.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.822 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -128.02 115.74 18.95 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.963 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -96.61 110.6 22.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.07 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -82.86 -40.57 20.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -137.46 138.09 39.39 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.951 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -103.17 115.46 45.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.534 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.608 ' CD2' ' CZ3' ' A' ' 98' ' ' TRP . 10.7 t80 -103.51 153.29 20.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.972 0.415 . . . . 0.0 110.518 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 1.1 m-20 -78.94 74.31 5.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.563 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.18 -59.95 2.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.555 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -159.85 162.14 25.21 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.441 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.494 ' C ' ' H ' ' A' ' 136' ' ' TYR . 40.8 Cg_endo -69.83 -11.44 30.76 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.533 2.155 . . . . 0.0 112.094 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 7.8 mt -66.42 4.57 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.622 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.494 ' H ' ' C ' ' A' ' 134' ' ' PRO . 0.5 OUTLIER -57.48 -54.8 42.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.596 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -56.69 -54.72 42.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.603 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -44.72 -53.48 7.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.618 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -48.53 -50.9 30.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.512 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.08 -51.0 26.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.616 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -61.79 -50.53 71.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.649 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.528 ' CE ' ' NH2' ' A' ' 111' ' ' ARG . 1.7 ttt -47.28 -49.93 22.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.619 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.8 mt -57.22 -41.52 79.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.607 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -60.14 -31.87 70.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.58 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -84.1 -13.51 52.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.554 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.6 -16.39 30.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.588 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.97 -8.16 67.67 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.35 157.93 37.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.761 0.315 . . . . 0.0 110.568 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -95.0 146.39 24.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.575 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 11.4 t -132.05 120.83 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.589 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.6 m -153.11 162.07 41.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.548 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.7 tp -90.06 130.45 39.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.476 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -41.49 122.25 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.591 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.82 173.66 6.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.629 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 155' ' ' TYR . 1.2 t80 -58.86 -55.73 31.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.586 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -50.07 -44.02 51.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.447 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -62.35 -42.49 99.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.629 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -57.56 -48.94 77.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.575 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -52.3 -50.08 62.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.973 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . 0.612 ' CD2' ' N ' ' A' ' 161' ' ' CYS . 0.4 OUTLIER -67.89 -57.84 5.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.827 -179.789 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.612 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 2.5 t -52.19 -26.37 11.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.802 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' TRP . . . . . 0.633 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.0 t-105 -70.86 -70.09 0.33 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.92 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . 0.633 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -63.33 -14.3 48.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.612 -179.123 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.57 ' HG1' ' CE1' ' A' ' 160' ' ' HIS . 23.0 m -82.51 -27.26 31.85 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.911 -0.315 . . . . 0.0 111.194 -179.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.59 ' CG ' ' SG ' ' A' ' 34' ' ' CYS . 58.4 m-85 -121.7 19.65 11.07 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.574 -179.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.546 ' C ' ' H ' ' A' ' 168' ' ' HIS . 71.1 t -135.06 155.18 37.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 121.146 0.498 . . . . 0.0 111.711 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . 0.438 ' N ' ' CG1' ' A' ' 166' ' ' VAL . 5.8 m-20 -75.7 32.54 0.11 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.769 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.727 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -38.02 -52.3 1.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.921 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . 0.621 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 16.2 mm-40 41.32 15.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.598 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . 0.727 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 143.58 -2.79 1.53 Allowed Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . 0.587 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 56.2 m -114.09 88.74 15.34 Favored Pre-proline 0 CA--C 1.531 0.238 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -78.68 166.81 23.3 Favored 'Trans proline' 0 C--N 1.315 -1.224 0 C-N-CA 122.076 1.851 . . . . 0.0 112.701 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -51.67 146.14 8.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.751 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -124.98 86.78 56.21 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.272 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -50.95 131.95 36.22 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.289 1.992 . . . . 0.0 112.077 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -99.6 -178.42 3.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.521 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -83.03 100.03 10.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.567 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 143.33 -25.49 2.17 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 2.2 tp -48.57 -52.85 20.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.812 0.339 . . . . 0.0 110.512 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -51.36 -50.07 60.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.582 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -57.68 -61.7 2.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.588 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -44.46 -41.1 6.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 1.3 m -63.1 -45.82 90.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.637 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -56.46 -34.97 67.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.632 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -73.04 -65.07 0.85 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.505 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 9.0 mt -46.94 -42.17 17.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.574 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 11.0 t -68.64 -37.06 79.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.614 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -55.99 -40.94 83.7 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -69.5 -56.0 8.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.808 0.337 . . . . 0.0 110.555 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -50.48 -36.82 35.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.413 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -70.92 -40.28 72.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.573 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -52.59 -54.61 30.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.569 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . 0.458 ' CD1' ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -59.44 -45.34 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.502 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.457 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.53 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.095 0 CA-C-O 120.9 0.381 . . . . 0.0 110.501 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.504 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 6.8 mp -94.74 173.3 7.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.427 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.465 ' SD ' ' CE2' ' A' ' 54' ' ' PHE . 53.1 mtm -63.59 167.19 5.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.088 179.336 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.3 OUTLIER -87.24 145.63 38.29 Favored Pre-proline 0 CA--C 1.536 0.44 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.728 -179.606 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -40.55 -51.33 3.51 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.289 1.993 . . . . 0.0 112.37 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.516 ' CG ' ' N ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -61.9 -49.23 77.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.927 -179.587 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.516 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 3.5 mm -48.68 -53.88 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.057 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -58.24 -60.2 4.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.786 0.327 . . . . 0.0 110.559 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.3 p -49.24 -24.21 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.573 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.491 ' OG ' ' N ' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -69.79 -62.78 1.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.761 -179.739 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.605 ' ND2' ' CD2' ' A' ' 22' ' ' PHE . 7.8 p-10 -71.47 0.41 8.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.763 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.605 ' CD2' ' ND2' ' A' ' 21' ' ' ASN . 34.4 m-85 -133.38 22.14 4.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.485 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.29 0.4 10.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.643 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 56.55 173.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.565 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 49.82 35.73 24.82 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.507 ' CD1' ' HE1' ' A' ' 98' ' ' TRP . 10.3 pt -82.17 -167.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.321 . . . . 0.0 110.684 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.45 -39.14 0.02 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -161.63 120.03 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.716 0.293 . . . . 0.0 110.476 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -160.0 -79.79 0.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.602 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -178.86 111.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.583 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.432 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 61.8 p -48.8 130.93 18.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.601 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -106.33 141.1 38.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.521 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.2 tp -135.52 111.07 9.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.484 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -106.0 109.47 21.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.245 179.648 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.437 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 23.8 p90 -102.22 142.9 32.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.56 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -132.01 143.47 50.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.506 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.454 ' CB ' ' ND1' ' A' ' 51' ' ' HIS . 13.4 t -111.66 123.01 67.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.548 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -137.52 138.97 40.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.584 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -95.88 145.96 24.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.539 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mp -101.34 121.34 41.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.555 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -135.34 111.71 9.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.659 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.493 ' C ' ' H ' ' A' ' 44' ' ' THR . 11.2 m-20 54.82 43.98 29.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.569 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.77 -26.94 1.11 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.493 ' H ' ' C ' ' A' ' 42' ' ' ASN . 9.4 m -72.37 113.83 9.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.773 0.32 . . . . 0.0 110.524 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.1 p -89.85 133.36 34.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.651 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.5 t -129.04 125.29 62.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.412 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.07 152.65 21.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.658 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.517 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -99.39 157.7 16.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.513 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.83 -50.34 5.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.59 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -100.15 73.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.335 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.454 ' ND1' ' CB ' ' A' ' 37' ' ' VAL . 9.3 t-80 -172.85 -7.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.426 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.517 ' NH2' ' O ' ' A' ' 48' ' ' MET . 8.3 ptp180 -100.65 170.89 8.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.56 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.7 176.39 47.19 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 3.9 p90 -141.02 143.39 34.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.686 0.279 . . . . 0.0 110.694 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mp -132.17 163.41 28.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.415 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.526 ' CD2' ' H ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -135.93 152.7 51.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.541 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.485 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 7.1 p-10 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.528 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.578 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.822 0.344 . . . . 0.0 110.588 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -45.01 -45.43 10.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.545 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -42.34 -48.72 5.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.514 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.2 mt -65.39 -54.1 33.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.614 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.04 -33.14 10.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.623 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.449 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 6.9 t80 -72.02 -50.03 31.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.681 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.47 -20.1 64.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.873 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.55 -33.88 53.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.119 -179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.419 ' O ' ' OG ' ' A' ' 81' ' ' SER . 3.9 pp -98.33 8.22 45.15 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.854 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.569 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -62.99 -41.6 71.89 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 28.9 Cg_exo -58.81 -17.43 36.39 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.107 1.871 . . . . 0.0 111.824 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 78' ' ' LEU . 85.9 p -59.35 -9.01 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.661 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.0 mt -105.67 -47.44 3.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.582 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 65.94 49.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.613 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 37.0 mt -59.53 134.12 56.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.468 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.37 159.27 33.14 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.496 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -70.52 -21.45 29.95 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.436 2.09 . . . . 0.0 112.086 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.31 -83.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.638 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.563 ' NE2' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -82.17 160.43 23.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.659 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.9 mm -89.66 155.03 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.458 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -137.33 167.2 22.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.825 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -145.18 116.75 8.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.514 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.1 t -98.58 112.79 31.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.275 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.27 117.62 30.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.628 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -100.99 132.13 46.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.714 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.434 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 13.8 m-85 -127.12 103.31 7.37 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 178.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.91 146.18 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.132 -177.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.438 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 29.6 p -97.42 -28.84 13.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.817 178.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.507 ' HE1' ' CD1' ' A' ' 26' ' ' ILE . 8.2 m95 -112.22 136.57 51.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.545 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.35 162.53 0.65 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.491 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -69.59 172.93 11.58 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.631 2.22 . . . . 0.0 112.224 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.568 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 20.1 p -111.96 -139.13 0.38 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.455 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.568 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -46.66 95.91 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.491 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.463 ' OG ' ' CB ' ' A' ' 139' ' ' ALA . 36.9 m -39.36 -25.29 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.687 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.501 ' N ' ' O ' ' A' ' 102' ' ' PHE . 5.7 t90 -85.9 -31.41 22.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.574 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -78.54 -62.08 2.34 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.74 -68.78 0.39 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.785 0.326 . . . . 0.0 111.064 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.45 -58.47 7.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.065 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -42.16 -51.6 5.18 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.42 ' OE2' ' O ' ' A' ' 105' ' ' GLY . 15.3 mt-10 -54.21 -42.71 70.09 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.345 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 100.0 t -68.37 -38.58 79.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.564 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.521 ' NH2' ' OE1' ' A' ' 115' ' ' GLN . 44.8 ttt85 -54.04 -58.99 5.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.425 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.83 -53.87 28.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.42 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.516 ' O ' ' ND2' ' A' ' 117' ' ' ASN . 23.5 t80 -50.41 -36.85 34.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.634 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.47 ' C ' ' H ' ' A' ' 116' ' ' GLU . 3.2 mp -74.72 -58.58 3.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.616 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.521 ' OE1' ' NH2' ' A' ' 111' ' ' ARG . 14.6 mt-30 -47.88 -15.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.317 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.47 ' H ' ' C ' ' A' ' 114' ' ' LEU . 2.6 tp10 -106.41 -46.47 4.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.565 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.516 ' ND2' ' O ' ' A' ' 113' ' ' PHE . 20.7 m-80 -101.38 38.14 1.65 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.81 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.44 ' C ' ' H ' ' A' ' 120' ' ' VAL . 0.0 OUTLIER -45.49 -15.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.833 -179.819 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' ' 117' ' ' ASN . 1.3 p80 -76.21 13.09 0.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.52 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.44 ' H ' ' C ' ' A' ' 118' ' ' THR . 62.8 t -131.13 144.49 37.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.46 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -91.55 148.44 22.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.599 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.29 112.38 12.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.439 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 59.1 mtp85 -120.39 117.84 28.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.013 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.6 mt -105.3 133.58 49.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.055 0.455 . . . . 0.0 111.092 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -127.75 118.0 22.95 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.75 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -95.49 112.67 24.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.232 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -84.26 -40.91 17.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.744 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.438 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -138.26 139.02 39.0 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.783 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.523 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 1.1 mt -95.64 120.92 45.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.595 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.523 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 3.7 m-85 -166.52 116.55 0.93 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.382 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -146.96 -174.67 4.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.486 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . 0.419 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 1.3 m-85 -89.14 -12.78 40.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.563 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 132' ' ' TYR . 0.5 OUTLIER -159.65 161.04 27.51 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.446 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.93 44.24 0.51 Allowed 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.494 2.129 . . . . 0.0 111.913 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.8 tp -90.08 -3.66 57.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.712 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -63.51 -28.65 70.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.577 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.86 -53.97 10.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.511 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -50.84 -35.13 30.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.47 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.463 ' CB ' ' OG ' ' A' ' 103' ' ' SER . . . -72.5 -42.12 65.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.569 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.39 -38.4 53.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.445 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.427 ' NE2' ' CG2' ' A' ' 193' ' ' ILE . 49.2 mm-40 -82.57 -60.56 2.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.758 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 3.6 ttt -47.54 -30.96 3.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.688 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 20.4 tp -76.97 -54.28 6.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.484 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.18 -24.25 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.673 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -68.26 -1.81 6.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.727 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -104.39 -23.35 13.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.559 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 105.95 -3.66 38.62 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -62.1 156.99 20.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.346 . . . . 0.0 110.482 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -93.64 133.24 37.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.59 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.21 110.39 16.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.537 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.52 162.19 37.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.757 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 5.2 mt -87.68 133.18 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.382 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 6.6 tpp -41.61 105.64 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.494 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.07 159.07 20.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.514 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -44.44 -54.71 5.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.65 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -51.62 -50.87 59.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.588 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -57.87 -44.9 86.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.616 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -52.09 -46.53 65.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.59 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . 0.521 ' NZ ' ' O ' ' A' ' 173' ' ' PHE . 1.8 tpmt? -56.71 -48.01 78.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.751 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . 0.639 ' ND1' ' N ' ' A' ' 161' ' ' CYS . 0.1 OUTLIER -64.69 -57.12 9.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.801 -179.699 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.639 ' N ' ' ND1' ' A' ' 160' ' ' HIS . 0.1 OUTLIER -54.42 -23.87 17.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 -179.327 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' TRP . . . . . 0.618 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 6.2 t-105 -75.08 -70.52 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.9 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . 0.618 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 2.1 p30 -62.69 -14.19 41.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.231 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 99.7 m -86.17 -24.49 26.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.458 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -121.3 16.6 11.44 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.444 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 52.6 t -136.14 142.65 38.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.767 0.317 . . . . 0.0 110.806 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . 0.524 ' C ' ' H ' ' A' ' 169' ' ' GLN . 20.0 p-10 -80.82 42.96 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.953 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.658 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -53.27 -8.52 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.425 -179.718 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . 0.524 ' H ' ' C ' ' A' ' 167' ' ' ASP . 31.2 mt-30 46.79 13.44 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.749 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . 0.658 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 113.71 37.91 1.24 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . 0.556 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 1.7 m -127.15 81.01 70.74 Favored Pre-proline 0 C--N 1.332 -0.179 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -48.93 148.51 9.04 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 122.478 2.119 . . . . 0.0 112.278 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . 0.521 ' O ' ' NZ ' ' A' ' 159' ' ' LYS . 0.2 OUTLIER -95.61 120.16 35.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.597 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . 0.519 ' O ' ' CE1' ' A' ' 173' ' ' PHE . 21.7 mt-30 -77.51 156.33 80.96 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.364 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.24 140.98 34.92 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 122.372 2.048 . . . . 0.0 112.143 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 1.2 p90 -83.37 -173.06 4.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.414 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -87.45 86.68 7.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.623 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 144.67 -12.47 1.97 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.4 tt -51.33 -42.41 61.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.771 0.32 . . . . 0.0 110.585 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . 0.45 ' N ' ' OD1' ' A' ' 180' ' ' ASP . 1.8 m-20 -68.03 -61.16 1.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.643 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -46.53 -52.9 12.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.608 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -55.39 -53.61 54.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.515 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 68.1 m -50.21 -37.01 33.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.643 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -73.5 -55.0 6.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.605 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -47.53 -56.02 7.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.494 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 7.4 mt -56.55 -53.8 53.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.496 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 75.4 p -51.82 -29.23 18.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.471 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -66.66 -52.03 37.24 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -59.04 -56.04 27.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.818 0.342 . . . . 0.0 110.547 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -50.01 -59.31 4.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.497 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 33.9 ttm-85 -46.74 -49.66 19.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.603 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -55.15 -37.59 67.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.565 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . 0.427 ' CG2' ' NE2' ' A' ' 141' ' ' GLN . 36.5 mt -75.77 -31.9 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.578 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.586 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.6 t60 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.789 0.328 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.608 ' CD2' ' N ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -108.63 172.87 6.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.893 -179.861 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.0 mtm -88.88 133.19 34.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.197 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.18 145.12 13.68 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.589 -179.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -41.02 -55.46 2.07 Favored 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 122.249 1.966 . . . . 0.0 112.248 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -51.03 69.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.152 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mm -48.58 -33.44 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.559 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -77.22 -60.9 2.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.521 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -46.39 -40.89 12.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.581 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.7 t -66.52 -44.3 82.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.56 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.623 ' ND2' ' CE1' ' A' ' 32' ' ' TYR . 9.8 m120 -66.93 -11.53 56.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.64 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -133.23 28.47 4.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.464 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -68.55 118.34 11.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.523 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -41.51 115.62 0.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.52 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.84 81.07 1.39 Allowed Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.5 pt -103.56 -173.98 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.84 0.352 . . . . 0.0 110.575 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.46 9.66 0.03 OUTLIER Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.545 ' O ' ' CZ2' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -79.35 172.42 13.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 110.715 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.458 ' ND1' ' N ' ' A' ' 29' ' ' HIS . 9.2 p-80 -105.79 60.92 0.66 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.934 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -150.72 52.71 0.87 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.66 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.6 m -46.21 137.77 5.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.517 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.623 ' CE1' ' ND2' ' A' ' 21' ' ' ASN . 1.3 m-85 -106.79 143.21 35.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.453 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.3 tp -135.74 111.95 9.73 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.49 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.488 ' SG ' ' O ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -105.49 115.83 30.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.869 179.306 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.459 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 26.3 p90 -112.98 147.39 37.24 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.176 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -148.91 137.18 20.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.26 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -95.84 146.08 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.673 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -144.25 118.95 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.394 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -79.52 133.48 36.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.407 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 mp -91.79 130.57 37.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.549 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -135.24 102.78 5.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.542 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 55.36 38.6 30.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.625 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.98 -27.13 9.41 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 m -72.16 122.07 20.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.524 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 p -91.67 116.86 29.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.605 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.0 t -103.03 100.67 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.549 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.406 ' HZ1' ' CB ' ' A' ' 47' ' ' LYS . 3.3 ttpm? -78.65 125.63 29.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.485 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.6 mtm -87.9 140.52 29.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.619 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.89 -41.51 13.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.43 62.72 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.436 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.451 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 59.9 t-80 -170.95 2.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.517 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -101.01 151.5 21.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.579 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.81 174.85 36.68 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -145.21 141.6 28.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 110.73 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mt -126.96 177.71 6.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.416 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -136.43 145.12 44.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.603 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 56' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.593 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.764 0.316 . . . . 0.0 110.624 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.51 -31.77 72.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.344 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -53.2 -52.24 59.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.385 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.46 -46.43 83.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.294 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -34.43 69.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.555 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.413 ' C ' ' N ' ' A' ' 77' ' ' ASP . 9.6 t80 -74.67 -64.36 1.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.453 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 tp -47.32 -18.99 0.13 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.67 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 75' ' ' PHE . 13.8 t70 -67.0 -53.9 26.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.647 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.425 ' O ' ' OG ' ' A' ' 81' ' ' SER . 1.6 pp -77.95 -14.38 59.55 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.399 -179.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.406 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 3.8 t -48.26 -59.41 6.02 Favored Pre-proline 0 CA--C 1.534 0.355 0 C-N-CA 120.666 -0.413 . . . . 0.0 111.061 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.419 ' C ' ' H ' ' A' ' 82' ' ' LEU . 9.6 Cg_endo -52.3 -25.97 25.78 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 121.777 1.652 . . . . 0.0 112.057 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 78' ' ' LEU . 8.2 p -53.79 -12.23 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.459 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.419 ' H ' ' C ' ' A' ' 80' ' ' PRO . 10.5 mt -94.35 -26.33 16.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.344 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.418 ' CB ' ' O ' ' A' ' 82' ' ' LEU . 5.3 tt0 75.6 28.52 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.655 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 mt -42.4 104.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.325 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.43 162.9 28.53 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.735 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.91 4.08 3.42 Favored 'Trans proline' 0 C--N 1.309 -1.54 0 C-N-CA 122.73 2.287 . . . . 0.0 112.279 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -38.75 -63.63 0.5 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.5 ' NE2' ' H ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -127.87 179.6 5.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.389 179.739 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.2 mm -84.77 152.94 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.043 0.449 . . . . 0.0 110.556 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -135.36 172.09 13.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.548 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.617 ' NH1' ' NH2' ' A' ' 123' ' ' ARG . 8.6 ttt180 -149.69 106.7 3.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.595 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.2 t -94.0 115.49 32.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.368 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.48 121.99 42.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.749 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 32.3 m0 -100.78 131.16 46.8 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.455 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.488 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 24.8 m-85 -118.79 102.82 9.1 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.94 148.3 14.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.169 0.509 . . . . 0.0 111.789 -178.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.452 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 15.5 p -96.64 -23.56 16.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.14 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.545 ' CZ2' ' O ' ' A' ' 28' ' ' ARG . 4.8 m95 -112.11 170.0 8.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.504 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.434 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.4 OUTLIER -79.79 158.65 72.76 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.528 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.434 ' O ' ' O ' ' A' ' 99' ' ' SER . 56.2 Cg_exo -42.48 172.92 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.304 0 C-N-CA 122.546 2.164 . . . . 0.0 112.375 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 102' ' ' PHE . 3.4 p -152.33 100.41 2.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.437 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.407 ' CB ' ' O ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER 76.27 86.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.388 0.613 . . . . 0.0 109.813 -179.596 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.414 ' O ' ' CB ' ' A' ' 107' ' ' ALA . 92.8 p -51.22 -29.83 15.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.41 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -81.71 -21.44 37.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.775 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -84.74 -58.83 2.07 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 11.9 m -78.25 -65.47 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.721 0.296 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 103' ' ' SER . . . -54.67 -25.36 26.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.708 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -70.59 -57.85 6.3 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -57.73 -40.66 80.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.19 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 85.5 t -68.79 -54.02 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.182 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -41.91 -58.79 1.92 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.241 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.85 -40.03 69.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.45 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 117' ' ' ASN . 10.2 t80 -53.96 -40.38 66.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.74 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.44 ' C ' ' N ' ' A' ' 116' ' ' GLU . 25.7 mt -75.62 -55.2 5.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.572 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -46.66 -19.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.254 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 114' ' ' LEU . 2.5 mt-10 -110.0 -38.61 5.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.644 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 113' ' ' PHE . 50.9 m-80 -132.59 61.73 1.66 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.908 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.26 5.66 3.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.647 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.402 ' CD2' ' C ' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -76.21 5.77 6.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.458 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.2 p -122.0 142.98 36.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.355 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -91.13 117.03 29.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.357 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.45 120.83 42.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.488 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.617 ' NH2' ' NH1' ' A' ' 91' ' ' ARG . 30.6 mtt180 -127.59 131.85 49.89 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.836 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.6 mp -106.23 131.86 54.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.693 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.522 ' CE1' ' OE2' ' A' ' 157' ' ' GLU . 63.5 m-85 -125.42 100.77 6.64 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.343 178.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -90.57 107.78 19.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.515 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.52 -39.6 67.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.423 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.452 ' CB ' ' O ' ' A' ' 97' ' ' SER . 5.6 tpp180 -131.95 164.64 25.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.177 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.523 ' O ' ' CD1' ' A' ' 130' ' ' TYR . 4.8 mp -124.21 114.73 42.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.821 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.523 ' CD1' ' O ' ' A' ' 129' ' ' ILE . 27.9 m-85 -153.37 109.1 3.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.434 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -140.84 -177.2 4.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.576 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -106.74 -57.47 2.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.711 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 133' ' ' ASP . 0.0 OUTLIER -98.49 162.62 21.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.573 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -70.67 12.17 0.44 Allowed 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.59 2.193 . . . . 0.0 112.202 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.428 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.1 mp -57.77 -20.13 32.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.63 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.625 ' CD1' ' N ' ' A' ' 137' ' ' LYS . 0.5 OUTLIER -53.88 -31.05 48.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.368 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.625 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 12.6 ttmt -69.34 -39.72 77.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.266 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.65 -26.62 68.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.313 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -70.79 -55.2 9.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.347 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.2 mt -54.14 -31.98 53.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.465 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 137' ' ' LYS . 2.8 mp0 -80.57 -60.7 2.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.677 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.9 mmm -52.44 -21.61 3.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.366 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 9.3 mt -78.44 -59.65 2.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.364 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -49.83 -29.39 7.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.523 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.97 -42.73 47.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.435 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.49 -24.0 65.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.507 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 96.89 65.11 0.92 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -136.99 152.36 50.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.749 0.309 . . . . 0.0 110.429 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -91.47 104.89 17.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.667 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -104.31 113.82 42.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.569 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.5 m -151.31 161.53 42.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.516 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -81.93 137.65 20.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.458 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.59 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 5.8 ttm -49.59 143.57 6.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.491 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 33.4 p -110.61 172.36 6.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.557 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -63.84 -41.17 97.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.528 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -62.07 -47.24 85.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.444 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . 0.522 ' OE2' ' CE1' ' A' ' 125' ' ' PHE . 12.6 mt-10 -59.11 -31.77 69.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.454 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.59 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.7 OUTLIER -64.72 -44.0 91.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.446 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -57.66 -47.01 83.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.634 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . 0.596 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -70.44 -55.48 8.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.677 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.596 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 9.7 t -54.29 -23.62 15.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' TRP . . . . . 0.63 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.7 t-105 -73.96 -70.3 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.973 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . 0.63 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 3.9 p30 -64.38 -14.32 55.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 -179.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 88.7 m -83.77 -24.92 30.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.928 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -121.13 18.74 11.6 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.147 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.542 ' C ' ' H ' ' A' ' 168' ' ' HIS . 72.4 t -139.15 132.63 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.859 0.361 . . . . 0.0 110.803 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . 0.541 ' C ' ' H ' ' A' ' 169' ' ' GLN . 2.0 p30 -72.56 41.06 0.09 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.172 0.51 . . . . 0.0 109.763 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.655 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -52.51 -8.72 0.09 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.304 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . 0.541 ' H ' ' C ' ' A' ' 167' ' ' ASP . 39.9 mm-40 46.68 14.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.559 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . 0.655 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 112.58 37.56 1.42 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . 0.529 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 2.4 m -127.1 80.64 71.26 Favored Pre-proline 0 C--N 1.333 -0.148 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -52.02 165.39 0.88 Allowed 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.616 2.21 . . . . 0.0 112.227 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . 0.533 ' CE2' ' O ' ' A' ' 174' ' ' GLN . 0.0 OUTLIER -122.79 134.46 54.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.189 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . 0.533 ' O ' ' CE2' ' A' ' 173' ' ' PHE . 11.1 mt-30 -91.51 152.57 43.67 Favored Pre-proline 0 C--N 1.33 -0.281 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.456 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -71.94 153.69 58.17 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.263 1.976 . . . . 0.0 112.194 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' TRP . . . . . 0.566 ' CE2' ' CD2' ' A' ' 179' ' ' LEU . 14.6 p90 -84.47 132.64 34.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.492 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -45.33 95.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.564 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 176' ' ' TRP . . . 154.05 -15.46 0.59 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . 0.566 ' CD2' ' CE2' ' A' ' 176' ' ' TRP . 0.2 OUTLIER -47.77 -47.9 30.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.768 0.318 . . . . 0.0 110.514 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . 0.405 ' CG ' ' N ' ' A' ' 181' ' ' GLU . 17.7 p-10 -53.08 -53.04 56.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.64 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . 0.405 ' N ' ' CG ' ' A' ' 180' ' ' ASP . 44.9 mt-10 -61.52 -54.05 48.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.756 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -51.87 -60.78 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.628 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 92.0 p -45.05 -43.54 9.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.06 -36.53 79.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.541 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -71.77 -58.63 3.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.593 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 42.9 mt -59.43 -61.28 2.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.609 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 187' ' ' SER . . . . . 0.593 ' HG ' ' N ' ' A' ' 188' ' ' GLY . 24.0 p -49.86 -36.58 27.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . 0.593 ' N ' ' HG ' ' A' ' 187' ' ' SER . . . -55.65 -51.48 54.66 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -59.34 -61.52 2.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.759 0.314 . . . . 0.0 110.694 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.4 tp -45.37 -53.54 8.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.605 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 18.7 mmm-85 -54.6 -29.18 50.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -64.71 -47.85 76.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.456 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . 0.421 ' CD1' ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -59.64 -35.2 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.505 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 67.4 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.657 -179.948 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.462 ' CD2' ' H ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.76 0.314 . . . . 0.0 110.546 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.429 ' CD2' HH22 ' A' ' 52' ' ' ARG . 8.6 mp -107.38 173.65 6.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.243 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.484 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 0.5 OUTLIER -62.71 157.49 20.87 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.63 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.81 150.13 58.37 Favored Pre-proline 0 CA--C 1.534 0.335 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.698 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.42 ' O ' ' OG1' ' A' ' 19' ' ' THR . 69.1 Cg_exo -41.85 -55.45 2.38 Favored 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.209 1.939 . . . . 0.0 112.148 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -52.27 -51.07 60.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.189 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.4 mm -51.69 -34.54 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.859 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -82.44 -61.27 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.948 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -52.76 -24.17 8.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.693 -179.818 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.9 p -82.4 -62.76 1.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.713 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.487 ' ND2' ' CE2' ' A' ' 22' ' ' PHE . 2.0 t30 -54.18 -33.37 57.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.553 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.487 ' CE2' ' ND2' ' A' ' 21' ' ' ASN . 56.9 m-85 -103.66 24.49 11.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.574 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -68.46 74.05 0.24 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.537 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 m120 46.72 -136.5 0.79 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.542 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.68 136.95 48.81 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.3 pt -134.28 -175.58 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.654 0.264 . . . . 0.0 110.352 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 175.57 44.97 0.06 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.686 ' HE ' ' N ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -125.99 142.06 51.68 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.871 0.367 . . . . 0.0 110.166 179.523 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.412 ' ND1' ' N ' ' A' ' 29' ' ' HIS . 7.7 m80 -63.61 80.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.763 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -166.9 36.96 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.592 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.1 p -46.52 155.79 0.21 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -122.26 145.13 48.51 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.719 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.2 tp -139.94 111.97 7.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.146 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.25 131.91 51.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.089 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.599 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 10.3 p90 -127.28 135.37 50.48 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.128 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.98 136.96 40.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.898 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -95.52 144.29 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.005 0.431 . . . . 0.0 110.9 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -147.1 118.39 7.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.347 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.5 ptt85 -86.75 148.75 25.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.476 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mt -103.6 99.46 9.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.607 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.416 ' O ' ' OG1' ' A' ' 44' ' ' THR . 0.5 OUTLIER -93.62 100.48 12.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.594 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.463 ' N ' HD21 ' A' ' 42' ' ' ASN . 1.1 m-80 50.53 58.02 5.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.64 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 71.85 -6.51 9.32 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 41' ' ' ASP . 0.6 OUTLIER -91.97 102.5 15.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 110.58 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.411 ' O ' ' OG ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -72.33 103.58 3.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.563 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.7 t -101.29 106.34 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.566 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -80.86 137.7 36.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.451 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.5 mtm -102.33 141.62 34.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.694 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -92.34 -50.47 5.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.616 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -76.72 49.81 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.306 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.533 ' NE2' ' CD1' ' A' ' 82' ' ' LEU . 40.2 t-80 -169.91 67.02 0.05 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.22 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.518 ' NH2' ' O ' ' A' ' 164' ' ' THR . 25.2 ptt85 -166.89 167.55 14.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.289 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -168.67 -174.88 37.72 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 9.6 p90 -152.7 135.84 15.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.689 0.28 . . . . 0.0 110.707 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mp -126.05 163.15 23.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.461 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -128.8 143.58 50.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.488 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 t30 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.552 -179.904 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.646 ' CD2' ' H ' ' A' ' 70' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.895 0.378 . . . . 0.0 110.513 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.16 -29.13 65.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.455 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.403 ' OE1' ' N ' ' A' ' 72' ' ' GLU . 3.4 mp0 -51.2 -47.07 62.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.612 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 25.2 mt -69.47 -58.07 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.807 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 48.8 mtt-85 -44.2 -43.72 7.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.691 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.599 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 32.5 t80 -61.58 -51.18 69.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.593 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.5 tp -56.59 -19.47 16.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.471 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.9 -45.2 68.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.476 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.85 3.81 55.01 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.304 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.424 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.6 t -55.72 -49.19 94.21 Favored Pre-proline 0 CA--C 1.535 0.388 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.077 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 36.4 Cg_endo -70.66 -16.47 33.78 Favored 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 121.337 1.358 . . . . 0.0 111.745 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.2 p -56.75 -22.09 33.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.216 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.533 ' CD1' ' NE2' ' A' ' 51' ' ' HIS . 4.0 mm? -72.42 -38.9 68.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.178 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.486 ' CB ' ' O ' ' A' ' 82' ' ' LEU . 4.0 tt0 81.59 46.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.877 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.06 155.95 38.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.21 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -122.26 159.05 53.85 Favored Pre-proline 0 CA--C 1.53 0.181 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.567 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -74.84 -1.98 11.9 Favored 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.46 2.107 . . . . 0.0 112.227 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.472 ' C ' ' NE2' ' A' ' 88' ' ' GLN . . . -40.1 -77.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.786 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.596 ' NE2' ' N ' ' A' ' 88' ' ' GLN . 0.2 OUTLIER -107.98 179.84 4.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.322 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.0 mm -84.62 153.33 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.377 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -126.12 143.79 50.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.914 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.662 HH12 HE22 ' A' ' 149' ' ' GLN . 1.6 ttt-85 -128.59 103.9 7.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.497 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.2 t -95.41 127.54 47.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.055 0.455 . . . . 0.0 110.432 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.3 120.55 39.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.972 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -100.84 132.51 46.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.252 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -124.84 103.71 8.22 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.81 146.5 16.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.43 . . . . 0.0 112.05 -177.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 128' ' ' ARG . 0.4 OUTLIER -96.9 -25.69 15.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.756 178.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -112.87 143.56 43.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.111 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.433 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.4 OUTLIER -74.79 164.51 60.89 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.605 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 99' ' ' SER . 71.1 Cg_exo -42.27 171.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.549 2.166 . . . . 0.0 112.202 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -124.05 -48.53 1.87 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.299 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.525 ' O ' ' N ' ' A' ' 105' ' ' GLY . 2.4 t80 -140.38 106.56 5.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.829 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 89.1 p -40.5 -35.25 0.43 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.046 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -84.78 -23.68 29.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.312 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -84.79 -62.0 1.72 Allowed Glycine 0 CA--C 1.526 0.745 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.236 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.69 -62.84 1.31 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.654 0.264 . . . . 0.0 110.966 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.42 -37.75 73.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.92 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -56.59 -62.71 6.05 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -51.46 -41.13 60.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.766 0.317 . . . . 0.0 110.712 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 92.8 t -68.2 -34.96 69.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.702 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -62.45 -58.95 5.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.567 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -48.96 -51.45 30.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.402 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.52 ' O ' ' N ' ' A' ' 117' ' ' ASN . 41.3 t80 -52.78 -47.83 67.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.592 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.408 ' C ' ' N ' ' A' ' 116' ' ' GLU . 2.1 mt -63.33 -58.69 6.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.717 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -48.06 -19.6 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.547 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 114' ' ' LEU . 4.2 tp10 -107.61 -27.31 10.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 113' ' ' PHE . 33.7 m120 -117.51 40.1 3.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 16.2 p -45.14 -22.57 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.795 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.49 ' O ' ' CG ' ' A' ' 119' ' ' HIS . 0.1 OUTLIER -77.67 8.9 3.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.931 0.396 . . . . 0.0 110.508 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' A' ' 117' ' ' ASN . 40.2 t -135.24 97.54 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.545 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -96.59 148.89 22.37 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.62 153.31 42.39 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.858 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -114.35 146.51 40.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.079 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.8 mp -112.82 140.02 34.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.097 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -127.5 99.03 5.44 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.167 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -78.54 114.33 17.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.602 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -85.24 -42.48 14.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.653 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.466 HH22 ' CE1' ' A' ' 182' ' ' HIS . 0.1 OUTLIER -137.07 152.96 50.64 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.959 -179.769 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -113.69 132.37 62.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.487 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -177.63 126.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.502 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.499 ' C ' ' H ' ' A' ' 133' ' ' ASP . 0.6 OUTLIER 174.59 133.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.527 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.72 10.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.498 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.555 ' C ' ' H ' ' A' ' 135' ' ' LEU . 69.3 m-20 -124.8 79.86 63.32 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.541 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.539 ' C ' ' H ' ' A' ' 136' ' ' TYR . 51.4 Cg_exo -51.61 -1.81 0.06 OUTLIER 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.723 2.282 . . . . 0.0 112.622 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.555 ' H ' ' C ' ' A' ' 133' ' ' ASP . 2.1 mt -54.36 -6.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.735 0.303 . . . . 0.0 110.727 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.539 ' H ' ' C ' ' A' ' 134' ' ' PRO . 0.4 OUTLIER -43.04 -38.7 2.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.87 -179.854 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.503 ' N ' ' CG ' ' A' ' 136' ' ' TYR . 2.6 ptpt -51.11 -60.4 3.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.495 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -54.73 -36.64 64.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.483 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.53 -30.93 71.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.563 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.42 -49.15 57.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.474 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.69 -53.29 14.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.509 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -45.34 -54.92 6.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.389 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 36.7 tp -56.83 -44.38 82.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.577 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -55.37 -23.64 25.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.621 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -84.81 3.15 39.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -101.62 -15.03 17.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.563 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 106.81 -26.78 18.4 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -56.95 158.25 5.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.515 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . 0.662 HE22 HH12 ' A' ' 91' ' ' ARG . 0.3 OUTLIER -104.61 146.13 29.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.664 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 46.6 t -132.09 126.67 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.496 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.26 161.92 41.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.628 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.1 tp -87.11 149.94 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.424 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 8.6 mmm -56.89 153.88 10.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.801 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 21.5 p -132.15 142.52 49.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.319 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -40.69 -47.13 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.688 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 156' ' ' ASP . 0.2 OUTLIER -59.46 -53.93 52.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.461 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -54.41 -33.33 59.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.391 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.7 -39.47 94.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.33 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -61.24 -45.55 94.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.462 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . 0.6 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -70.12 -53.23 18.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.445 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.6 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 4.6 t -58.35 -23.55 57.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.655 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' TRP . . . . . 0.572 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 4.8 t-105 -71.74 -64.75 0.87 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . 0.572 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -69.1 -14.22 62.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.385 -179.208 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.518 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 96.3 m -85.02 -23.71 28.52 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.323 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.484 ' O ' ' SD ' ' A' ' 13' ' ' MET . 11.2 m-85 -121.54 18.76 11.26 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.524 -179.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.539 ' C ' ' H ' ' A' ' 168' ' ' HIS . 88.5 t -137.54 132.84 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.246 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . 0.493 ' C ' ' H ' ' A' ' 169' ' ' GLN . 1.4 p-10 -73.68 36.36 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.168 0.509 . . . . 0.0 109.901 179.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.671 ' CG ' ' H ' ' A' ' 171' ' ' CYS . 0.3 OUTLIER -49.25 -11.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.932 -179.601 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . 0.493 ' H ' ' C ' ' A' ' 167' ' ' ASP . 1.9 mt-30 49.3 9.75 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.922 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . 0.63 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 122.18 37.74 0.63 Allowed Glycine 0 CA--C 1.528 0.852 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . 0.671 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.6 OUTLIER -127.54 88.81 52.77 Favored Pre-proline 0 CA--C 1.536 0.414 0 N-CA-C 110.501 -0.185 . . . . 0.0 110.501 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -75.39 131.97 14.41 Favored 'Trans proline' 0 C--N 1.315 -1.22 0 C-N-CA 121.73 1.62 . . . . 0.0 112.171 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . 0.528 ' CD1' ' O ' ' A' ' 173' ' ' PHE . 0.0 OUTLIER -81.68 146.0 30.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.786 -179.657 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . 0.485 ' O ' ' CE2' ' A' ' 173' ' ' PHE . 0.0 OUTLIER -94.46 157.27 37.56 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.445 -179.759 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -69.19 132.36 24.06 Favored 'Trans proline' 0 N--CA 1.492 1.441 0 C-N-CA 122.489 2.126 . . . . 0.0 112.054 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -70.32 153.73 42.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.58 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.85 86.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.536 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 158.3 -25.84 0.4 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -41.78 -43.75 3.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.832 0.349 . . . . 0.0 110.606 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . 0.418 ' O ' ' OG ' ' A' ' 183' ' ' SER . 0.2 OUTLIER -55.19 -62.77 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.666 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -58.75 -55.28 37.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.497 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 182' ' ' HIS . . . . . 0.466 ' CE1' HH22 ' A' ' 128' ' ' ARG . 16.6 m-70 -45.4 -54.01 7.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.506 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 183' ' ' SER . . . . . 0.428 ' O ' ' OG ' ' A' ' 187' ' ' SER . 63.5 p -50.72 -48.59 58.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.626 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -60.8 -37.13 80.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.584 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -70.91 -65.18 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.615 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 3.5 mt -52.18 -52.56 51.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.581 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 187' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 183' ' ' SER . 8.7 m -60.51 -37.79 82.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.537 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -53.02 -53.92 31.5 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -56.5 -50.67 71.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.843 0.354 . . . . 0.0 110.612 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -59.7 -29.48 68.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.482 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 13.6 ttm-85 -78.69 -20.43 50.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -80.34 -51.3 9.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.653 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . 0.412 ' CG2' ' N ' ' A' ' 194' ' ' LEU . 16.1 tt -62.27 -46.41 96.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.586 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . 0.412 ' N ' ' CG2' ' A' ' 193' ' ' ILE . 4.0 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.522 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.594 ' CD2' ' N ' ' A' ' 11' ' ' HIS . 0.9 OUTLIER . . . . . 0 N--CA 1.464 0.261 0 CA-C-O 121.665 0.745 . . . . 0.0 109.119 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.04 166.68 10.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.471 -1.24 . . . . 0.0 109.394 -179.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.6 ptp -62.09 168.02 3.57 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.824 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.91 154.83 75.51 Favored Pre-proline 0 CA--C 1.536 0.416 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.069 -178.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -43.21 -56.06 2.5 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.552 2.168 . . . . 0.0 112.455 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -51.01 71.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.853 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.2 mm -48.95 -31.39 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.681 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -82.44 -61.04 2.0 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.68 -33.28 22.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.719 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.3 p -80.67 -36.56 32.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.457 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.536 ' ND2' ' CG ' ' A' ' 32' ' ' TYR . 10.9 t30 -67.66 -35.03 78.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.56 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -105.22 18.35 22.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.591 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -43.79 113.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.597 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.451 ' OD1' ' NH1' ' A' ' 128' ' ' ARG . 12.0 t30 -46.26 118.33 1.89 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.619 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.46 98.61 0.04 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 pp -111.18 -175.68 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.859 0.362 . . . . 0.0 110.636 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.09 -8.89 0.07 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.441 ' CD ' ' H ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -83.49 173.13 11.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.828 0.347 . . . . 0.0 110.787 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -107.54 69.52 0.75 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.558 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.57 ' CB ' ' HZ3' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -136.44 51.24 2.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.782 0.325 . . . . 0.0 110.582 179.846 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.5 p -46.5 131.92 10.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.708 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.536 ' CG ' ' ND2' ' A' ' 21' ' ' ASN . 0.5 OUTLIER -107.67 142.87 36.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.832 -179.828 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.432 ' C ' ' CD2' ' A' ' 33' ' ' LEU . 6.1 tt -139.31 116.18 10.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.65 147.04 28.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.412 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -134.69 140.57 46.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.068 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -144.15 129.38 18.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.298 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.408 ' CG1' ' SD ' ' A' ' 48' ' ' MET . 1.4 p -99.4 142.87 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.794 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -140.09 129.57 24.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.374 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -80.75 134.1 35.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.54 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mp -96.4 130.78 43.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.478 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.419 ' O ' ' OG1' ' A' ' 44' ' ' THR . 27.3 t70 -151.46 107.33 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.484 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.1 m120 52.9 46.74 26.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.538 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.64 14.21 66.95 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 41' ' ' ASP . 1.6 m -103.22 106.81 17.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.713 0.292 . . . . 0.0 110.597 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.411 ' O ' ' OG ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -82.32 107.74 15.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.576 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.5 t -102.78 98.42 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.579 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -70.26 128.42 36.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.549 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.518 ' O ' ' NE ' ' A' ' 52' ' ' ARG . 56.9 mtt -66.06 163.02 18.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.494 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.47 -49.96 4.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.507 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -108.7 77.08 1.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.532 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.408 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 53.0 t-80 -167.78 1.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.635 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.518 ' NE ' ' O ' ' A' ' 48' ' ' MET . 10.5 mtt180 -100.71 135.33 42.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.377 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.57 -166.18 14.41 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -167.53 140.83 3.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.74 0.305 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.1 mt -122.04 178.37 4.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.382 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -139.23 153.6 47.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.553 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.533 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.837 0.351 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.19 -30.82 12.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.588 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -54.1 -64.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.653 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.4 mt -42.9 -41.08 3.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.684 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -63.06 -41.03 99.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.636 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.413 ' CE1' ' CG2' ' A' ' 79' ' ' VAL . 2.0 t80 -65.87 -45.54 81.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.6 tp -65.18 -20.14 66.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.588 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -69.39 -33.11 72.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.185 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.439 ' C ' ' CD1' ' A' ' 78' ' ' LEU . 3.7 pp -103.39 3.0 34.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.704 0.287 . . . . 0.0 111.03 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.413 ' CG2' ' CE1' ' A' ' 75' ' ' PHE . 1.5 t -55.93 -48.89 95.75 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.402 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 43.4 Cg_endo -73.49 -17.24 23.87 Favored 'Trans proline' 0 N--CA 1.489 1.26 0 C-N-CA 121.471 1.448 . . . . 0.0 111.817 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.57 -11.71 54.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.338 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.3 mt -85.59 6.22 28.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.526 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 46.38 41.02 8.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.695 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.7 mt -40.96 145.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.52 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.431 ' C ' ' H ' ' A' ' 87' ' ' ALA . 7.8 m-20 -116.78 84.98 16.38 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.483 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.468 ' O ' ' N ' ' A' ' 88' ' ' GLN . 50.6 Cg_exo -50.76 -10.89 0.33 Allowed 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.335 2.024 . . . . 0.0 112.159 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.431 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -41.74 -23.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.456 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 86' ' ' PRO . 0.2 OUTLIER -139.57 178.87 6.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.342 179.876 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.1 mm -89.12 156.29 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.628 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -146.84 179.1 7.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.431 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -148.16 115.62 6.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.88 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.0 t -94.02 108.77 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.143 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.13 117.25 27.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.788 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -102.53 131.47 49.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.605 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.403 ' CE2' ' SG ' ' A' ' 161' ' ' CYS . 48.9 m-85 -124.64 102.95 7.86 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 178.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.85 141.81 23.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.72 -178.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.482 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 1.8 p -96.1 -23.05 16.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.676 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -115.41 135.08 54.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.582 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.65 162.15 0.31 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.418 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -68.49 159.57 52.9 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.555 2.17 . . . . 0.0 112.097 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.6 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 10.4 p -100.83 -149.13 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.493 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.6 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -41.23 107.72 0.08 Allowed 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.202 0.525 . . . . 0.0 109.806 179.583 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 108' ' ' GLY . 97.9 p -41.54 -24.56 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.624 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.452 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.2 OUTLIER -84.81 -26.26 27.6 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.573 -179.311 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -84.86 -61.9 1.73 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . 0.402 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 0.9 OUTLIER -75.66 -61.75 1.81 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.645 0.26 . . . . 0.0 111.655 -179.281 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.85 -35.6 77.13 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.253 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -64.47 -60.27 7.26 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.41 -29.11 65.83 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.313 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' A' ' 106' ' ' CYS . 39.4 t -75.77 -36.43 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.116 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -62.84 -58.97 5.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.125 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.51 -50.93 51.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.274 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -50.44 -37.8 39.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.256 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.465 ' C ' ' H ' ' A' ' 116' ' ' GLU . 2.1 mt -73.66 -58.35 3.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.35 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -46.7 -16.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.409 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.465 ' H ' ' C ' ' A' ' 114' ' ' LEU . 1.7 tm-20 -107.91 -44.49 4.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.61 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.491 ' O ' ' N ' ' A' ' 119' ' ' HIS . 2.0 m-80 -98.89 35.43 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.77 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.484 ' C ' ' H ' ' A' ' 120' ' ' VAL . 0.0 OUTLIER -45.53 -15.66 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.831 -179.781 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.529 ' ND1' ' O ' ' A' ' 119' ' ' HIS . 4.7 p80 -76.23 17.1 0.38 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.958 0.409 . . . . 0.0 110.289 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.484 ' H ' ' C ' ' A' ' 118' ' ' THR . 42.7 t -139.37 140.33 37.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.374 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.57 ' NH1' ' NE2' ' A' ' 149' ' ' GLN . 3.1 mmp_? -91.52 120.28 32.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.442 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.14 112.33 24.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.567 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -117.08 118.82 33.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.141 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 11.3 mt -105.49 137.09 36.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.025 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -130.61 110.53 11.47 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.611 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -89.6 113.66 25.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.358 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -85.17 -45.39 12.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.784 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.482 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -131.86 142.61 49.74 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.872 0.367 . . . . 0.0 110.725 179.897 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.8 mt -103.81 107.49 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.545 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -148.76 117.53 6.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.586 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -146.22 -168.01 2.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.525 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -104.87 -23.56 12.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.691 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.508 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.2 OUTLIER -143.58 160.95 49.15 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.547 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.18 25.13 0.19 Allowed 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.606 2.204 . . . . 0.0 112.205 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.508 ' H ' ' C ' ' A' ' 133' ' ' ASP . 4.7 tt -61.44 -23.94 66.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.53 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.595 ' CD1' ' N ' ' A' ' 137' ' ' LYS . 0.6 OUTLIER -48.15 -27.92 2.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.585 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.595 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 28.3 tttt -61.68 -61.82 2.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.564 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -49.64 -41.75 43.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.527 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.19 -46.05 91.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.546 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.66 -53.07 26.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -35.47 76.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.609 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -34.61 72.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.655 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 146' ' ' ALA . 7.6 mt -75.68 -51.09 13.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.578 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 40.6 ttt-85 -44.88 -38.6 4.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.531 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.75 -26.93 60.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.596 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -77.99 -4.37 46.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.607 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 69.06 8.58 58.61 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -75.52 150.5 38.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 110.55 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . 0.57 ' NE2' ' NH1' ' A' ' 121' ' ' ARG . 3.8 mt-30 -83.62 128.46 34.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.569 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.06 118.45 37.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.454 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.33 162.07 38.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.608 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . 0.433 ' CG2' ' O ' ' A' ' 152' ' ' ILE . 1.1 tp -88.38 125.75 41.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.5 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.584 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 9.1 ttt -42.33 115.17 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.592 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 41.9 p -98.85 174.07 6.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.562 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -40.51 94.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.663 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -58.88 -58.67 7.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.344 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . 0.457 ' CA ' ' OE1' ' A' ' 157' ' ' GLU . 0.0 OUTLIER -51.9 -35.02 44.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.225 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.584 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 0.7 OUTLIER -62.83 -55.05 29.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.371 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -43.93 -47.82 8.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.623 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . 0.428 ' O ' ' OG1' ' A' ' 164' ' ' THR . 0.0 OUTLIER -69.11 -46.36 67.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.934 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.403 ' SG ' ' CE2' ' A' ' 95' ' ' PHE . 0.8 OUTLIER -60.29 -64.21 1.03 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.943 -179.545 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' TRP . . . . . 0.478 ' CD1' ' N ' ' A' ' 173' ' ' PHE . 1.2 t-105 -50.86 -32.85 21.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -75.92 -39.44 56.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.137 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 1.7 m -87.21 -16.1 36.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.173 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -107.48 17.08 23.17 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -178.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.406 ' CG1' ' ND1' ' A' ' 168' ' ' HIS . 45.1 t -143.4 112.73 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.529 -0.469 . . . . 0.0 111.105 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 167' ' ' ASP . 24.4 p-10 -72.36 52.66 0.27 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.95 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.52 ' CE1' ' O ' ' A' ' 171' ' ' CYS . 2.8 p-80 -93.99 -25.87 17.05 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.358 -0.537 . . . . 0.0 111.112 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 168' ' ' HIS . 59.5 mm-40 37.41 74.24 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.086 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 138.87 -17.48 3.22 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.97 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . 0.52 ' O ' ' CE1' ' A' ' 168' ' ' HIS . 5.2 t -113.35 88.47 12.95 Favored Pre-proline 0 CA--C 1.534 0.339 0 CA-C-N 116.854 0.327 . . . . 0.0 110.943 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -79.14 166.66 22.6 Favored 'Trans proline' 0 C--N 1.314 -1.245 0 C-N-CA 122.001 1.801 . . . . 0.0 112.043 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . 0.478 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 29.4 t80 -51.63 134.11 30.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -118.7 84.9 26.08 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.474 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_exo -48.18 131.27 21.89 Favored 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 122.265 1.977 . . . . 0.0 112.206 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 12.6 p90 -104.06 163.8 12.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.475 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -65.51 102.1 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.548 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 141.93 -29.71 2.19 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 1.4 tp -53.52 -28.15 29.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.747 0.308 . . . . 0.0 110.541 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . 0.459 ' CG ' ' H ' ' A' ' 181' ' ' GLU . 7.3 p-10 -74.9 -62.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.67 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . 0.459 ' H ' ' CG ' ' A' ' 180' ' ' ASP . 32.6 mt-10 -52.73 -51.38 60.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.614 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -51.21 -57.47 8.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.584 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 60.7 p -54.86 -31.97 60.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.634 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -63.57 -38.15 90.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.603 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -67.83 -53.5 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.636 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 37.0 mt -59.38 -54.29 48.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.633 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 87.8 p -51.05 -36.56 40.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.553 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -66.8 -39.54 93.54 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -57.66 -47.68 81.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.33 . . . . 0.0 110.576 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.83 -43.44 98.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.57 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -70.74 -16.32 62.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.595 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -81.43 -38.26 26.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.597 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 3.4 tt -90.75 -26.64 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.656 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 2.6 tp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.603 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.8 t60 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.869 0.366 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.582 ' CD2' ' N ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -104.79 174.07 6.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.284 179.686 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.5 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -69.41 169.13 12.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.617 179.381 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -73.32 123.19 89.23 Favored Pre-proline 0 CA--C 1.539 0.537 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.877 -179.289 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.438 ' O ' ' OG1' ' A' ' 19' ' ' THR . 80.9 Cg_exo -42.04 -17.64 0.07 OUTLIER 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 121.925 1.75 . . . . 0.0 112.138 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 14' ' ' ASP . 9.1 t60 -77.55 -57.8 3.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.648 -179.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.6 pp -57.0 -21.26 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 120.741 -0.383 . . . . 0.0 110.38 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -77.14 -60.98 2.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.451 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -55.63 -24.12 31.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.607 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 m -85.39 -46.91 10.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.731 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.465 ' OD1' ' CE1' ' A' ' 32' ' ' TYR . 10.6 m120 -65.0 -9.94 25.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.744 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -130.37 27.07 5.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.574 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.06 4.01 6.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.548 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 61.54 150.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.546 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 53.04 97.94 0.01 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -148.04 169.85 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.874 0.368 . . . . 0.0 110.652 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.59 16.09 0.96 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.404 ' O ' ' CH2' ' A' ' 98' ' ' TRP . 0.3 OUTLIER -99.53 154.84 17.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.821 0.343 . . . . 0.0 110.742 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -87.94 99.47 12.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.696 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.4 tttt -173.0 34.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.393 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.7 p -46.71 160.68 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.004 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.465 ' CE1' ' OD1' ' A' ' 21' ' ' ASN . 1.0 OUTLIER -134.59 145.04 48.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.285 179.662 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.437 ' C ' ' CD2' ' A' ' 33' ' ' LEU . 6.6 tt -139.19 123.1 17.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.693 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.88 116.51 30.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.398 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.508 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 4.4 p90 -109.68 143.36 39.56 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.733 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -132.91 160.08 38.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.297 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.3 t -129.7 130.77 66.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.571 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -136.92 128.31 28.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.601 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -81.37 125.76 30.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.429 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.63 119.47 26.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.607 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.82 114.67 6.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.597 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.65 ' N ' HD21 ' A' ' 42' ' ' ASN . 0.7 OUTLIER 54.82 39.38 31.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.604 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.52 -20.26 2.24 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.489 ' H ' ' C ' ' A' ' 42' ' ' ASN . 19.1 m -77.12 111.18 12.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.552 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.8 p -90.35 110.44 21.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.563 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.437 ' CG2' ' O ' ' A' ' 46' ' ' VAL . 25.7 m -99.99 108.82 23.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.572 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.65 127.38 32.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.569 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 50.9 mtm -91.21 147.58 22.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.509 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -87.01 -50.25 6.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.643 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -81.6 56.66 3.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.417 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -169.37 22.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.643 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.518 ' NH1' ' O ' ' A' ' 164' ' ' THR . 0.4 OUTLIER -133.66 170.53 15.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.463 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 176.81 -171.02 43.94 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -144.28 138.35 27.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.694 0.283 . . . . 0.0 110.674 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -119.45 134.47 55.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.346 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -103.32 157.98 16.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.577 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.557 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.588 ' CD2' ' H ' ' A' ' 70' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.82 0.343 . . . . 0.0 110.548 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.69 -39.9 95.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.596 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.42 ' OE1' ' SG ' ' A' ' 106' ' ' CYS . 30.5 mt-10 -45.17 -61.5 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.525 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.6 mp -52.12 -52.56 50.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.623 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.17 -58.03 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.441 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.508 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 40.7 t80 -57.6 -49.39 76.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.469 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.4 mt -57.08 -19.96 22.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.565 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -71.86 -44.39 63.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.241 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 pp -95.92 5.34 51.46 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.074 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.422 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.4 t -56.59 -48.09 97.79 Favored Pre-proline 0 CA--C 1.536 0.41 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.084 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 44.1 Cg_endo -74.13 -17.05 22.24 Favored 'Trans proline' 0 N--CA 1.488 1.198 0 C-N-CA 121.528 1.485 . . . . 0.0 111.856 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.9 t -69.14 -9.93 55.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.357 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.5 mt -79.63 12.1 2.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.54 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 41.63 43.34 2.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.563 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.6 mt -43.15 155.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.664 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.503 ' C ' ' H ' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -116.89 85.08 16.89 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.462 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -49.79 -7.16 0.08 OUTLIER 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 122.375 2.05 . . . . 0.0 112.264 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.503 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -47.44 -56.38 7.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.47 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.496 ' NE2' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -112.99 -179.3 3.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.387 179.823 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.477 ' H ' ' CD1' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -85.39 162.44 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.534 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -143.76 176.38 9.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.562 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -146.58 108.5 4.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.736 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.1 t -94.92 112.13 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.285 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.1 m -97.05 120.34 37.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.63 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -101.39 132.19 47.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.933 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.495 ' CD2' ' SG ' ' A' ' 161' ' ' CYS . 12.5 m-85 -124.04 102.86 7.97 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.43 145.75 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.076 -178.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.461 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 0.9 OUTLIER -97.0 -23.22 16.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.764 178.801 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.404 ' CH2' ' O ' ' A' ' 28' ' ' ARG . 21.6 m95 -114.77 135.78 53.8 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.528 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.66 162.73 4.54 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.599 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -70.7 171.12 16.12 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.602 2.201 . . . . 0.0 112.109 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 31.1 p -111.14 -137.2 0.37 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.367 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.539 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -49.49 102.49 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.495 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.525 ' O ' ' N ' ' A' ' 108' ' ' GLY . 79.3 p -41.08 -25.11 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.63 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.454 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -85.46 -28.29 25.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.919 0.39 . . . . 0.0 111.347 -179.503 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -81.33 -62.0 2.02 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . 0.42 ' SG ' ' OE1' ' A' ' 72' ' ' GLU . 0.7 OUTLIER -77.56 -69.24 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.621 0.248 . . . . 0.0 111.369 -179.568 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.43 -40.2 81.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.98 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -58.78 -57.05 21.93 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -53.96 -32.8 55.04 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.013 0.435 . . . . 0.0 110.099 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 58.2 t -73.78 -40.24 53.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.348 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 55.9 ttt180 -56.1 -58.98 5.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.324 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.56 -59.75 4.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.426 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -46.67 -28.66 1.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.618 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.7 tp -84.24 -43.3 15.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.728 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -49.62 -28.69 6.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.489 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -109.68 5.33 22.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.998 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.538 ' C ' ' H ' ' A' ' 119' ' ' HIS . 7.6 t30 -144.02 34.24 1.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.348 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.4 t -62.27 3.01 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.538 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.2 OUTLIER -76.16 9.98 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.376 . . . . 0.0 110.363 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.9 p -136.98 149.66 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.387 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.45 123.05 34.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.467 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.66 112.41 25.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.614 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -116.32 120.05 37.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.857 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 19.6 mt -105.1 130.81 55.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.101 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -125.66 115.54 20.28 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.642 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -95.02 111.79 23.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.226 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -83.1 -44.71 14.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -133.2 138.41 46.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.933 0.397 . . . . 0.0 110.603 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -98.79 126.04 52.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.737 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -174.42 120.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.308 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -175.35 172.74 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.503 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -103.31 9.9 37.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.378 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.512 ' C ' ' H ' ' A' ' 135' ' ' LEU . 1.7 m-20 -128.4 76.71 78.03 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.516 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.511 ' C ' ' H ' ' A' ' 136' ' ' TYR . 50.7 Cg_exo -49.75 -6.84 0.08 OUTLIER 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.72 2.28 . . . . 0.0 112.295 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' A' ' 133' ' ' ASP . 4.9 mt -55.73 -6.05 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.501 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.511 ' H ' ' C ' ' A' ' 134' ' ' PRO . 0.6 OUTLIER -42.4 -37.14 1.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.651 -179.89 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.479 ' N ' ' CG ' ' A' ' 136' ' ' TYR . 1.2 pttm -59.87 -60.36 3.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.464 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -51.88 -26.68 10.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.41 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -75.39 -28.87 59.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.512 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.6 -41.44 72.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.514 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -82.28 -36.14 27.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.554 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 3.4 ttp -68.47 -49.66 58.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.689 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 23.1 tp -66.1 -50.93 62.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.677 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.506 ' C ' ' H ' ' A' ' 146' ' ' ALA . 4.8 tmm_? -49.08 -41.04 34.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.512 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -61.7 -0.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.594 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 144' ' ' ARG . . . -102.16 -23.85 14.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.658 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 131.33 -47.61 1.01 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -44.31 147.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.839 0.352 . . . . 0.0 110.645 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -102.0 143.4 31.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.501 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.49 122.06 49.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.494 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 5.3 t -150.91 162.09 41.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.666 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.3 tp -78.38 140.28 17.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.583 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.583 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 10.9 ttt -56.37 130.7 45.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.637 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' THR . . . . . 0.422 ' H ' ' HG1' ' A' ' 154' ' ' THR . 0.3 OUTLIER -100.08 153.77 18.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.629 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -52.29 -39.59 60.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.58 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.47 -44.38 93.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.543 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -65.95 -38.86 89.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.484 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.583 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 1.3 m-85 -51.43 -49.61 61.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.535 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.85 -52.98 62.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.606 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . 0.624 ' ND1' ' N ' ' A' ' 161' ' ' CYS . 0.1 OUTLIER -48.1 -51.53 24.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.336 179.836 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.624 ' N ' ' ND1' ' A' ' 160' ' ' HIS . 0.5 OUTLIER -64.11 -49.22 73.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.945 -179.495 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' TRP . . . . . 0.459 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 21.9 t-105 -43.35 -68.97 0.15 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.327 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . 0.459 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.1 OUTLIER -60.16 -26.51 66.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.762 -179.008 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.518 ' O ' ' NH1' ' A' ' 52' ' ' ARG . 30.7 m -86.87 -18.45 30.87 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.818 -179.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.547 ' N ' ' O ' ' A' ' 161' ' ' CYS . 25.9 m-85 -121.52 19.19 11.26 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.623 -179.29 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.563 ' C ' ' H ' ' A' ' 168' ' ' HIS . 60.9 t -144.69 153.97 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.517 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . 0.416 ' O ' ' CG ' ' A' ' 167' ' ' ASP . 0.4 OUTLIER -75.98 27.75 0.11 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.958 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.709 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -41.01 -54.56 2.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.909 179.539 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . 0.621 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 31.6 mt-30 41.16 17.06 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.386 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . 0.709 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 141.35 3.69 1.16 Allowed Glycine 0 CA--C 1.53 0.975 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.909 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . 0.615 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 23.7 m -117.24 85.27 18.89 Favored Pre-proline 0 CA--C 1.53 0.177 0 CA-C-N 116.865 0.333 . . . . 0.0 110.121 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -82.5 149.53 14.71 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 122.391 2.061 . . . . 0.0 112.369 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . 0.513 ' O ' ' CD2' ' A' ' 173' ' ' PHE . 0.0 OUTLIER -105.76 123.03 47.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.313 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . 0.494 ' H ' ' CD ' ' A' ' 174' ' ' GLN . 0.0 OUTLIER -91.83 153.97 43.69 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.443 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -70.32 134.26 26.38 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.263 1.976 . . . . 0.0 111.96 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 9.7 p90 -80.55 -172.19 3.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.605 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.82 95.4 10.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.53 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 160.48 -33.6 0.41 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.76 -46.12 50.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.801 0.334 . . . . 0.0 110.377 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.3 -48.51 71.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.502 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -65.72 -57.82 7.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.476 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -49.95 -37.57 32.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.476 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.11 -55.43 35.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.491 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -58.02 -30.26 65.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.578 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -68.37 -65.04 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.555 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 42.9 mt -62.51 -60.34 3.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.492 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 15.6 p -45.98 -37.43 6.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.482 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -66.73 -39.83 93.72 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 31.8 mtt85 -69.19 -55.87 9.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.782 0.325 . . . . 0.0 110.491 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -43.34 -50.34 6.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.3 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -59.3 -40.6 86.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.352 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -51.79 -52.69 47.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.51 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.66 -33.9 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.349 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.455 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.488 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 4.2 p80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.846 0.355 . . . . 0.0 110.607 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.551 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 6.8 mp -94.9 174.37 7.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.968 0.413 . . . . 0.0 110.492 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.489 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -61.86 150.26 37.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.967 179.678 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -67.11 141.39 96.36 Favored Pre-proline 0 CA--C 1.536 0.418 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.408 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.442 ' O ' ' OG1' ' A' ' 19' ' ' THR . 86.1 Cg_exo -40.01 -48.71 3.78 Favored 'Trans proline' 0 N--CA 1.488 1.166 0 C-N-CA 122.119 1.879 . . . . 0.0 112.248 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.431 ' CD2' ' C ' ' A' ' 16' ' ' HIS . 11.7 t60 -65.83 -45.89 80.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.622 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.7 mm -48.7 -38.7 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.977 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 28.2 t80 -76.33 -57.2 4.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.786 0.327 . . . . 0.0 110.913 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -54.91 -24.56 24.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.831 -179.639 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.6 t -86.9 -35.91 18.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.676 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.614 ' ND2' ' CE1' ' A' ' 32' ' ' TYR . 14.4 t-20 -81.19 -1.36 44.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.735 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -133.31 3.17 3.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.339 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.403 ' ND2' ' C ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -65.52 122.52 17.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.441 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -39.39 121.12 1.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.727 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.52 77.66 1.27 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -70.11 -176.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.744 0.307 . . . . 0.0 110.584 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -121.92 -77.71 0.44 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.653 HH12 ' CE1' ' A' ' 29' ' ' HIS . 0.9 OUTLIER -171.56 147.01 2.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.465 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.653 ' CE1' HH12 ' A' ' 28' ' ' ARG . 18.1 m-70 44.31 64.39 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -135.43 13.64 3.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.816 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.9 p -47.27 109.5 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.426 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.614 ' CE1' ' ND2' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -106.14 140.79 38.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.652 -179.857 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.46 ' CD1' ' C ' ' A' ' 33' ' ' LEU . 2.6 tm? -132.94 123.34 25.76 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.016 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.98 102.97 8.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.649 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.493 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 15.4 p90 -93.55 142.36 27.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.151 -179.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -126.49 160.59 30.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.111 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.8 t -131.44 123.78 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 110.639 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -135.68 120.54 18.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.619 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.8 ttp85 -95.53 137.53 34.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.39 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.9 mt -92.61 157.32 16.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.557 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -151.62 96.3 2.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.449 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.464 ' C ' ' H ' ' A' ' 44' ' ' THR . 40.7 t-20 59.43 53.87 4.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.472 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.62 -27.1 1.9 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.464 ' H ' ' C ' ' A' ' 42' ' ' ASN . 1.5 m -71.85 144.05 49.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.763 0.316 . . . . 0.0 110.508 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.7 p -104.26 137.0 42.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.569 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 37.1 t -131.1 105.42 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.499 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -82.54 136.78 34.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.663 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.2 mmt -89.31 145.81 25.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.523 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -96.82 -50.15 4.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.687 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.415 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -100.78 63.07 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.549 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -161.0 13.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.663 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -109.58 170.63 7.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.596 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -173.09 173.69 45.71 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -152.15 146.72 25.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.85 0.357 . . . . 0.0 110.746 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mp -137.4 178.47 7.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.559 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.22 175.66 9.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.474 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.462 ' H ' ' ND2' ' A' ' 57' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.541 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.667 ' CD2' ' H ' ' A' ' 70' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.822 0.344 . . . . 0.0 110.658 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.59 -36.86 85.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.503 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -63.89 -50.9 66.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.508 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.6 mp -44.92 -47.54 11.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.383 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -58.26 -47.17 84.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.498 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.493 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 25.5 t80 -59.03 -47.77 84.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.407 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 tp -65.22 -19.59 66.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.191 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -79.07 -33.36 44.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.266 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 pp -103.81 8.11 37.08 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.779 0.323 . . . . 0.0 110.734 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.581 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -63.17 -41.66 70.89 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.61 179.792 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 28.3 Cg_exo -59.16 -22.07 62.64 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.263 1.975 . . . . 0.0 111.873 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.5 m -56.89 -8.84 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.526 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.452 ' H ' ' C ' ' A' ' 80' ' ' PRO . 49.2 mt -90.8 -35.25 14.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.59 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 71.26 39.58 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.643 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.9 mt -54.97 111.6 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.532 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.2 160.57 54.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.623 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.28 3.88 2.76 Favored 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.576 2.184 . . . . 0.0 112.112 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.0 -84.99 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.828 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.604 ' NE2' ' H ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -109.11 -175.09 2.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.584 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' A' ' 90' ' ' TYR . 3.2 mm -85.07 156.14 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.536 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.403 ' N ' ' CG2' ' A' ' 89' ' ' ILE . 2.4 m-85 -131.33 167.36 19.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.489 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.418 ' NH1' ' NH1' ' A' ' 123' ' ' ARG . 19.7 ttp180 -153.85 104.44 2.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.777 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.8 t -91.09 131.27 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.451 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.6 m -107.73 120.47 42.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.301 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -100.38 131.47 46.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.967 0.413 . . . . 0.0 110.741 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.57 ' CD2' ' SG ' ' A' ' 161' ' ' CYS . 22.4 m-85 -120.29 102.87 8.78 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -111.1 142.44 23.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.003 0.43 . . . . 0.0 111.664 -178.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 2.5 p -96.72 -27.9 14.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.057 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 14.8 m95 -112.16 136.44 51.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.578 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.602 ' HG ' ' N ' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -46.49 162.41 0.26 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.626 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.602 ' N ' ' HG ' ' A' ' 99' ' ' SER . 39.9 Cg_endo -69.74 172.95 11.7 Favored 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.544 2.163 . . . . 0.0 112.073 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -117.43 -151.26 0.48 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.288 -179.84 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.536 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -37.75 98.55 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.326 0.584 . . . . 0.0 110.066 179.685 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 101' ' ' CYS . 74.4 m -39.06 -24.02 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.822 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.522 ' N ' ' O ' ' A' ' 102' ' ' PHE . 1.6 t90 -84.41 -31.75 24.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.55 -179.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -72.22 -62.31 3.35 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -69.21 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.648 0.261 . . . . 0.0 111.198 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -50.55 -50.16 54.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.913 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.35 -58.84 11.96 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 105' ' ' GLY . 14.3 mm-40 -46.59 -45.35 18.86 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.279 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.0 t -65.18 -45.11 94.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.391 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -47.04 -58.54 3.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.209 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.54 -45.6 63.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.242 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -51.56 -49.19 62.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.491 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 117' ' ' ASN . 7.0 mp -69.21 -58.42 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.505 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -46.8 -15.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.416 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.478 ' H ' ' C ' ' A' ' 114' ' ' LEU . 4.3 tt0 -109.97 -18.91 13.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.657 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.627 ' ND2' ' CD2' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -152.54 57.74 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.387 . . . . 0.0 110.694 -179.842 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 66.5 p -62.14 5.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.627 ' CD2' ' ND2' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -75.85 1.36 15.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 0.0 110.337 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.6 p -128.47 130.52 69.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.482 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 28.1 mtt-85 -91.47 144.55 25.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.294 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.76 128.55 49.73 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.002 -179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.418 ' NH1' ' NH1' ' A' ' 91' ' ' ARG . 2.4 mtp180 -112.27 124.08 51.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.825 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 23.6 mm -104.92 127.12 59.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.748 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.509 ' CE1' ' OE2' ' A' ' 157' ' ' GLU . 63.4 m-85 -126.09 111.18 14.37 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.04 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -94.54 114.77 26.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.988 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -85.75 -44.66 12.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.071 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.612 HH21 ' CG ' ' A' ' 186' ' ' LEU . 0.0 OUTLIER -133.82 140.31 46.81 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.878 0.37 . . . . 0.0 110.784 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -99.85 129.24 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.581 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.417 ' O ' ' OD1' ' A' ' 131' ' ' ASP . 0.2 OUTLIER -178.82 122.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.367 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 130' ' ' TYR . 0.1 OUTLIER 179.68 151.71 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.681 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -86.59 10.09 16.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.453 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.534 ' C ' ' H ' ' A' ' 135' ' ' LEU . 11.9 m-20 -122.33 80.61 45.39 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.571 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.505 ' C ' ' H ' ' A' ' 136' ' ' TYR . 50.2 Cg_exo -50.04 -5.83 0.07 OUTLIER 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 122.565 2.177 . . . . 0.0 112.309 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.534 ' H ' ' C ' ' A' ' 133' ' ' ASP . 5.5 mt -52.66 -8.98 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.456 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.505 ' H ' ' C ' ' A' ' 134' ' ' PRO . 0.9 OUTLIER -42.87 -26.55 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.662 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -68.08 -59.21 3.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.585 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.99 -30.38 14.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.554 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -69.13 -42.58 75.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.591 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.32 -43.71 83.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.54 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -77.24 -59.23 2.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.552 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -45.08 -39.89 6.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.437 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 44.2 tp -68.96 -45.96 69.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -54.45 -28.49 44.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.519 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -82.22 -13.6 56.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.516 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -87.73 -23.1 24.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.585 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 91.71 68.47 1.15 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -143.49 172.79 12.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.879 0.371 . . . . 0.0 110.573 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -100.53 130.67 46.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.584 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.05 107.68 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.501 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.09 162.0 41.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.719 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 10.3 mm -85.02 136.45 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.568 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.586 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 4.9 ttt -45.04 121.26 2.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.51 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 82.4 p -99.04 157.38 16.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.636 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -47.97 -39.41 19.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.731 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.39 -60.94 2.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.588 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . 0.509 ' OE2' ' CE1' ' A' ' 125' ' ' PHE . 73.8 mt-10 -53.79 -32.32 52.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.489 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.586 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 0.4 OUTLIER -59.41 -46.9 87.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.421 179.864 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -59.88 -56.22 24.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.661 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . 0.517 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -56.23 -54.21 48.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.54 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.57 ' SG ' ' CD2' ' A' ' 95' ' ' PHE . 11.5 t -57.12 -38.53 73.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.705 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' TRP . . . . . 0.578 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 4.0 t-105 -61.88 -64.7 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . 0.578 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -62.46 -17.5 59.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.337 -179.45 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 87.7 m -86.56 -36.49 18.88 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.23 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.489 ' O ' ' SD ' ' A' ' 13' ' ' MET . 28.6 m-85 -100.72 18.7 18.69 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.354 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.525 ' C ' ' H ' ' A' ' 168' ' ' HIS . 60.2 t -146.15 134.87 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.643 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . 0.543 ' C ' ' H ' ' A' ' 169' ' ' GLN . 30.2 t70 -75.16 39.31 0.14 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.605 178.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.564 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -46.87 -12.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.586 -179.776 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . 0.543 ' H ' ' C ' ' A' ' 167' ' ' ASP . 9.2 mm-40 53.83 6.19 0.08 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.987 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . 0.564 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 122.47 36.1 0.71 Allowed Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . 0.556 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 1.2 m -124.78 80.76 62.14 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-O 120.701 0.286 . . . . 0.0 110.292 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -51.91 155.05 8.92 Favored 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.595 2.197 . . . . 0.0 112.219 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . 0.521 ' CE1' ' O ' ' A' ' 174' ' ' GLN . 0.0 OUTLIER -98.59 114.5 26.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.412 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . 0.521 ' O ' ' CE1' ' A' ' 173' ' ' PHE . 0.0 OUTLIER -79.53 156.68 75.56 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.553 -179.732 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.66 156.21 57.77 Favored 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 122.393 2.062 . . . . 0.0 112.154 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 3.0 p90 -103.53 -168.29 1.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.383 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -89.22 86.63 6.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.436 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 144.67 -25.39 1.97 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 5.2 tt -41.07 -38.77 1.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.727 0.299 . . . . 0.0 110.604 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -47.89 59.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.611 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -60.16 -50.13 74.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.642 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -63.32 -46.86 84.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.56 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 71.0 m -58.55 -50.34 74.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.596 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.26 -32.04 72.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.705 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -73.88 -65.16 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.63 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . 0.612 ' CG ' HH21 ' A' ' 128' ' ' ARG . 9.3 mp -50.52 -54.68 20.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.505 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 13.3 m -54.41 -42.4 70.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.603 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -66.02 -32.77 83.52 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -58.89 -61.68 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.724 0.297 . . . . 0.0 110.596 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.1 tp -51.24 -44.76 61.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.424 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -52.42 -35.62 52.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.41 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -66.08 -55.14 18.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.576 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . 0.4 ' N ' ' CD1' ' A' ' 193' ' ' ILE . 1.7 mp -48.56 -53.47 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.531 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.528 -179.948 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.0 t60 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.837 0.351 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.567 ' CD2' ' N ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -100.74 174.04 6.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.248 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.6 ptp -76.26 166.86 22.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.241 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.13 142.12 92.54 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.676 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -41.66 -49.09 5.47 Favored 'Trans proline' 0 N--CA 1.491 1.336 0 C-N-CA 122.082 1.855 . . . . 0.0 112.346 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -64.76 -48.06 75.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.057 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.4 mm -48.73 -30.35 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.652 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -80.97 -60.86 2.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.615 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.434 ' H ' ' HG1' ' A' ' 19' ' ' THR . 0.2 OUTLIER -48.6 -24.99 1.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.567 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.403 ' C ' ' H ' ' A' ' 22' ' ' PHE . 59.8 p -79.26 -54.65 5.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.504 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.59 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 6.2 m120 -60.84 -7.63 2.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.548 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.403 ' H ' ' C ' ' A' ' 20' ' ' SER . 53.6 m-85 -133.19 35.16 3.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 23' ' ' ASN . 1.7 t-20 -95.58 104.93 16.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.578 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.653 ' N ' HH21 ' A' ' 128' ' ' ARG . 0.0 OUTLIER -41.21 155.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.556 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.22 18.29 67.27 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.819 -0.913 . . . . 0.0 110.819 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.5 tt -60.79 158.39 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.619 0.247 . . . . 0.0 110.46 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.88 -10.36 0.1 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -108.1 143.69 36.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.779 0.323 . . . . 0.0 110.438 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.596 ' N ' ' ND1' ' A' ' 29' ' ' HIS . 0.1 OUTLIER -61.91 76.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.819 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.542 ' NZ ' HD22 ' A' ' 21' ' ' ASN . 0.0 OUTLIER -117.03 25.11 10.73 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.961 179.727 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -46.92 142.04 3.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.395 -179.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.59 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -119.74 143.69 47.66 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.093 179.71 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -133.37 114.0 13.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.107 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.89 136.83 47.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.673 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.404 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 40.4 p90 -128.91 136.65 50.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.024 0.44 . . . . 0.0 111.395 -178.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -139.96 129.06 23.66 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.15 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.8 t -105.36 137.85 33.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.875 0.369 . . . . 0.0 110.73 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.484 ' OE2' ' NE ' ' A' ' 91' ' ' ARG . 7.6 pt-20 -139.67 134.52 32.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.405 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.3 ttp85 -79.47 138.18 37.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.547 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.6 mt -103.49 101.49 11.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.667 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -100.5 99.33 9.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.455 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.407 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 0.4 OUTLIER 54.83 32.28 17.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.615 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.51 -25.96 26.23 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.8 m -72.78 110.89 7.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.54 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 63.2 p -84.25 128.4 34.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.512 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.7 t -122.92 99.36 6.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.454 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -63.82 132.46 50.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.62 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 45.3 mtt -74.75 155.88 37.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.533 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.92 -50.2 7.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.597 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -103.29 73.09 1.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.517 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.52 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 38.0 t-80 -163.93 9.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.666 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.519 ' C ' ' HE ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -100.92 133.64 45.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.397 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -154.53 -179.34 29.71 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -166.04 139.21 4.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.922 0.392 . . . . 0.0 111.154 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mp -138.33 178.47 7.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.382 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.08 167.87 13.64 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.347 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 . . . . . 0 C--N 1.33 -0.24 0 CA-C-O 120.849 0.357 . . . . 0.0 110.656 -179.867 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.426 ' CD2' ' OE2' ' A' ' 72' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.932 0.396 . . . . 0.0 110.717 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.46 -27.44 56.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.536 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.494 ' OE1' ' SG ' ' A' ' 106' ' ' CYS . 21.5 mt-10 -54.34 -38.32 65.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.569 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.6 mp -60.72 -47.1 87.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.633 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -60.49 -37.57 81.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.595 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 2.8 t80 -62.07 -49.22 76.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.569 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.1 tp -65.94 -20.15 66.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.627 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -76.73 -29.48 56.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.413 ' C ' ' CD1' ' A' ' 78' ' ' LEU . 4.0 pp -104.44 7.13 35.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.834 0.35 . . . . 0.0 110.833 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.588 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -64.25 -41.11 58.38 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.985 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 22.7 Cg_exo -61.0 -17.24 50.55 Favored 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 122.27 1.98 . . . . 0.0 112.065 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.7 m -71.04 -9.02 57.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.2 mt -98.3 -10.77 23.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.705 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 42.76 52.37 5.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.546 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 mt -40.43 156.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.71 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.521 ' C ' ' H ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -116.22 85.41 15.55 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.413 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -50.12 -5.66 0.07 OUTLIER 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.357 2.038 . . . . 0.0 112.45 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.521 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -40.95 -31.99 0.21 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.91 0.386 . . . . 0.0 110.518 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -138.29 -173.88 3.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.279 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.474 ' C ' ' CD1' ' A' ' 90' ' ' TYR . 0.5 OUTLIER -90.75 156.61 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.028 0.442 . . . . 0.0 110.641 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 89' ' ' ILE . 65.1 m-85 -144.15 179.05 7.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.845 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.503 ' CZ ' ' HE ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -148.63 116.04 6.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.443 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.3 t -93.85 122.52 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.322 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.5 m -104.11 118.73 37.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.605 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -102.97 131.13 50.15 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.648 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.416 ' CD2' ' SG ' ' A' ' 161' ' ' CYS . 36.3 m-85 -123.22 103.21 8.39 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -111.93 145.6 17.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.475 -178.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 2.1 p -91.88 -24.51 19.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.001 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -110.54 171.12 7.65 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.102 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -98.08 161.08 26.7 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.799 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' A' ' 99' ' ' SER . 53.1 Cg_exo -42.55 173.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 122.648 2.232 . . . . 0.0 112.515 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.9 p -125.08 -47.81 1.76 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.143 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.3 OUTLIER -143.31 117.31 9.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.578 179.597 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.447 ' H ' ' HG ' ' A' ' 103' ' ' SER . 3.8 m -42.85 -36.64 1.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.05 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -84.65 -17.69 37.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.555 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.96 -63.82 1.51 Allowed Glycine 0 CA--C 1.527 0.804 0 C-N-CA 120.514 -0.85 . . . . 0.0 111.697 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . 0.494 ' SG ' ' OE1' ' A' ' 72' ' ' GLU . 1.3 m -79.01 -48.07 15.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.652 0.263 . . . . 0.0 111.572 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.09 -27.74 61.04 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.853 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -69.27 -61.0 4.77 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -36.78 68.79 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.117 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 4.3 t -68.88 -61.41 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.363 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.557 ' C ' HE21 ' A' ' 115' ' ' GLN . 67.3 ttt180 -42.3 -60.74 1.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.128 0.49 . . . . 0.0 110.098 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -42.81 -59.54 1.92 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.428 ' CE1' ' OD1' ' A' ' 117' ' ' ASN . 40.8 t80 -51.55 -23.43 4.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.603 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 111' ' ' ARG . 0.9 OUTLIER -84.48 -55.71 4.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.078 -179.613 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.557 HE21 ' C ' ' A' ' 111' ' ' ARG . 11.7 mm-40 -46.52 -28.91 1.55 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.945 0.402 . . . . 0.0 110.081 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -90.92 -42.04 10.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.237 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 119' ' ' HIS . 17.8 m120 -103.77 37.5 2.03 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.747 0.308 . . . . 0.0 111.185 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.462 ' C ' ' H ' ' A' ' 120' ' ' VAL . 59.9 p -45.66 -15.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.835 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.52 ' ND1' ' O ' ' A' ' 119' ' ' HIS . 5.6 p80 -76.19 16.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.955 0.407 . . . . 0.0 110.544 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.462 ' H ' ' C ' ' A' ' 118' ' ' THR . 60.7 t -137.27 144.88 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.479 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.28 148.66 22.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.177 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.91 113.39 13.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.048 0.451 . . . . 0.0 110.796 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.503 ' HE ' ' CZ ' ' A' ' 91' ' ' ARG . 32.2 mtt-85 -115.23 125.01 52.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.125 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.1 mm -106.0 129.61 58.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -128.18 115.41 18.33 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.659 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -102.85 111.39 23.7 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.429 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -77.73 -43.08 32.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.816 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.653 HH21 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -131.63 160.7 34.62 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.515 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.526 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 0.9 OUTLIER -121.76 141.12 43.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.62 -179.751 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.526 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 0.8 OUTLIER 177.77 120.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.431 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.489 ' C ' ' H ' ' A' ' 133' ' ' ASP . 2.4 m-20 -177.81 123.58 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.432 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.71 9.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.328 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.524 ' C ' ' H ' ' A' ' 135' ' ' LEU . 1.1 m-20 -118.51 82.37 19.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.29 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -46.83 -7.99 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 122.461 2.107 . . . . 0.0 112.633 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.524 ' H ' ' C ' ' A' ' 133' ' ' ASP . 0.7 OUTLIER -51.64 -21.06 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.699 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.452 ' CD1' ' C ' ' A' ' 136' ' ' TYR . 0.5 OUTLIER -42.52 -31.92 0.49 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.643 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -53.51 -62.05 1.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.439 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -54.84 -33.33 61.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.433 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -56.38 -46.84 79.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.437 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -60.56 -50.74 72.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.281 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -58.76 -39.4 80.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.408 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -56.97 -39.77 75.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.249 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 146' ' ' ALA . 0.8 OUTLIER -60.21 -55.54 32.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.211 179.734 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -44.93 -41.71 7.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.566 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.62 -34.36 72.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.666 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -79.33 -23.37 43.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 79.98 71.04 1.29 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -136.28 -172.54 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.679 0.276 . . . . 0.0 110.501 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.66 124.43 48.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.607 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.19 107.72 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.495 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 71.0 p -152.0 162.35 41.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.693 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 19.5 mt -85.92 139.25 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.893 0.378 . . . . 0.0 110.352 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 5.8 tpp -41.42 126.96 2.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.626 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.99 159.31 15.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.506 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -48.09 -41.39 26.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.688 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -62.5 -48.07 81.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.582 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -61.99 -42.5 99.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.596 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -49.81 -56.27 11.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.675 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.15 -58.75 6.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.017 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . 0.614 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -48.74 -57.82 5.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.855 -179.774 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.614 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 1.5 m -54.76 -52.76 61.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' TRP . . . . . 0.595 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 6.4 t-105 -43.83 -68.76 0.17 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . 0.595 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -57.97 -41.24 82.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.437 -179.316 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 77.9 m -68.23 -18.1 64.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.493 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 161' ' ' CYS . 50.0 m-85 -121.56 19.31 11.22 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -179.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.579 ' C ' ' H ' ' A' ' 168' ' ' HIS . 80.6 t -144.76 155.07 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.182 0.515 . . . . 0.0 111.645 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . 0.43 ' N ' ' CG1' ' A' ' 166' ' ' VAL . 2.2 p-10 -74.87 30.14 0.09 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.642 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.724 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.2 OUTLIER -35.26 -53.6 0.63 Allowed 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.252 -179.644 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . 0.626 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 81.0 mm-40 40.95 15.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.518 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . 0.724 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 144.39 -3.17 1.38 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . 0.593 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 3.5 m -108.07 96.08 16.99 Favored Pre-proline 0 CA--C 1.535 0.393 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -73.61 160.64 43.72 Favored 'Trans proline' 0 N--CA 1.49 1.276 0 C-N-CA 121.522 1.481 . . . . 0.0 112.691 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -51.48 143.96 11.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.805 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -108.44 99.88 35.1 Favored Pre-proline 0 CA--C 1.535 0.384 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.634 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -78.71 133.86 11.77 Favored 'Trans proline' 0 N--CA 1.489 1.241 0 C-N-CA 121.859 1.706 . . . . 0.0 111.95 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' TRP . . . . . 0.654 ' HE1' ' CD2' ' A' ' 182' ' ' HIS . 0.9 OUTLIER -73.82 167.16 21.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . 0.502 ' N ' ' OD1' ' A' ' 177' ' ' ASP . 9.6 p30 -84.02 86.13 7.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.739 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 149.97 43.72 0.03 OUTLIER Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.491 -1.044 . . . . 0.0 110.491 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . 0.43 ' O ' ' OG ' ' A' ' 183' ' ' SER . 0.8 OUTLIER -73.92 -49.92 22.5 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.872 -179.678 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -59.48 -21.8 60.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.426 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -75.91 -62.0 1.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 182' ' ' HIS . . . . . 0.654 ' CD2' ' HE1' ' A' ' 176' ' ' TRP . 2.1 p80 -70.61 -28.13 64.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.996 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 183' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 179' ' ' LEU . 49.9 m -69.51 -45.43 68.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.499 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -63.56 -38.48 91.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.542 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -56.58 -60.26 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.6 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 35.9 mt -67.76 -55.89 11.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.613 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 23.0 t -50.54 -26.31 5.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.6 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -72.73 -53.69 8.07 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -48.24 -56.09 8.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.807 0.337 . . . . 0.0 110.621 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.5 tp -53.55 -54.1 42.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.611 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -45.27 -36.95 4.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.605 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -64.85 -50.45 66.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.566 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 10.5 mt -49.43 -49.0 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.455 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 47.8 mt . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.61 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.736 0.303 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.581 ' CD2' ' N ' ' A' ' 12' ' ' LEU . 1.0 OUTLIER -107.68 173.58 6.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.134 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.9 mtm -74.58 150.75 39.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.87 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 3.9 m-20 -63.63 141.99 97.95 Favored Pre-proline 0 CA--C 1.537 0.461 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.446 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.421 ' O ' ' OG1' ' A' ' 19' ' ' THR . 73.5 Cg_exo -40.73 -52.55 3.16 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 122.147 1.898 . . . . 0.0 112.393 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -64.02 -48.19 77.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.031 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mm -48.78 -39.9 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 0.0 110.447 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -76.07 -60.87 2.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.56 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.2 OUTLIER -48.74 -24.52 1.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.56 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.7 p -77.58 -49.1 15.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.53 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.427 ' ND2' ' CE1' ' A' ' 32' ' ' TYR . 2.3 m-20 -62.44 -30.44 71.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.558 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.452 ' C ' ' H ' ' A' ' 24' ' ' ASN . 99.1 m-85 -112.25 20.48 16.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.502 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -51.55 -12.68 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.497 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.452 ' H ' ' C ' ' A' ' 22' ' ' PHE . 9.7 t-20 63.89 98.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.475 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.25 77.04 1.14 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.82 -178.19 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 0.0 110.575 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.03 41.88 0.59 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.469 ' O ' ' CZ2' ' A' ' 98' ' ' TRP . 1.0 OUTLIER -105.21 149.01 26.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.558 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -92.15 85.36 5.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.391 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -171.1 49.26 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.455 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.5 p -46.35 157.66 0.13 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.288 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.427 ' CE1' ' ND2' ' A' ' 21' ' ' ASN . 3.7 m-85 -121.31 143.69 49.04 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.192 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tp -137.11 111.88 8.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.533 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.2 127.27 53.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.948 179.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 14.0 p90 -121.22 138.21 54.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.943 0.402 . . . . 0.0 111.035 -179.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.425 ' CB ' ' HZ2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -141.01 134.06 29.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.105 179.599 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -95.67 145.12 8.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.925 0.393 . . . . 0.0 110.835 -179.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -139.95 128.9 23.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.414 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.459 HH21 ' HH ' ' A' ' 90' ' ' TYR . 40.7 ttm180 -81.32 135.91 35.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.521 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.6 mt -100.86 146.19 27.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.494 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -155.6 100.5 2.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.593 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.76 31.65 21.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.537 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.05 -24.9 29.83 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.3 m -72.61 108.01 5.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 0.0 110.61 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 60.5 p -98.81 108.79 21.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.577 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.5 m -101.33 120.14 50.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.653 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.425 ' HZ2' ' CB ' ' A' ' 36' ' ' GLU . 2.1 tmtp? -77.73 124.73 28.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.536 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 46.0 mtt -61.68 153.56 27.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.622 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.74 -50.23 6.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.492 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -104.94 74.94 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.318 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.465 ' N ' ' HE ' ' A' ' 52' ' ' ARG . 37.7 t-80 -164.59 22.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.682 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.656 ' H ' ' NE ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -101.04 152.36 20.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.512 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.44 151.4 21.29 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -149.42 142.03 24.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.804 0.335 . . . . 0.0 110.635 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.545 ' N ' ' CD1' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -144.72 167.17 23.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.498 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.425 ' O ' ' O ' ' A' ' 57' ' ' ASN . 0.6 OUTLIER -104.08 159.02 16.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.511 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.425 ' O ' ' O ' ' A' ' 56' ' ' HIS . 45.4 p-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.612 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.655 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.848 0.356 . . . . 0.0 110.125 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.49 -47.38 3.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.999 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.447 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 19.0 mp0 -48.33 -43.7 33.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.944 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mp -68.82 -55.08 12.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.606 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -44.38 -27.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.565 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.452 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 16.0 t80 -84.7 -44.15 13.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.578 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.0 tp -66.64 -19.99 65.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.635 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.72 -28.59 60.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.18 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.411 ' C ' ' CD1' ' A' ' 78' ' ' LEU . 3.9 pp -106.28 8.06 31.68 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.928 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.579 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -64.82 -41.03 52.99 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.952 179.849 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 36.0 Cg_exo -58.16 -17.35 31.72 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 C-N-CA 122.233 1.956 . . . . 0.0 111.963 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.3 t -55.4 -32.64 62.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.686 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 2.8 mm? -80.69 -41.98 22.78 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.434 ' CB ' ' O ' ' A' ' 82' ' ' LEU . 13.3 tt0 76.6 41.13 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.677 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.4 mt -46.88 154.62 0.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.513 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.02 160.52 66.92 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.409 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -71.4 -15.22 31.23 Favored 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.511 2.141 . . . . 0.0 112.21 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.87 -78.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.493 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -98.59 155.1 17.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.365 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.0 mm -84.91 150.6 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.083 0.468 . . . . 0.0 110.444 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.459 ' HH ' HH21 ' A' ' 39' ' ' ARG . 97.0 m-85 -137.23 179.03 6.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.66 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -148.91 107.06 3.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.476 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 70.7 t -88.99 107.96 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.371 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.3 m -93.12 124.33 37.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.524 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 25.9 m0 -100.6 131.26 46.6 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.022 0.439 . . . . 0.0 110.508 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -118.63 102.84 9.17 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.16 145.96 20.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.166 0.508 . . . . 0.0 111.711 -178.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 0.2 OUTLIER -95.72 -20.05 19.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.743 179.081 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.469 ' CZ2' ' O ' ' A' ' 28' ' ' ARG . 22.8 m95 -117.05 163.98 15.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.219 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -79.64 158.14 73.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.479 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' A' ' 99' ' ' SER . 53.3 Cg_exo -42.38 171.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.369 0 C-N-CA 122.413 2.075 . . . . 0.0 112.235 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.59 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 0.1 OUTLIER -107.17 -45.05 4.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.327 179.686 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.59 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.3 OUTLIER -157.21 114.01 3.01 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 179.228 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.524 ' HG ' ' N ' ' A' ' 104' ' ' TRP . 96.4 p -39.09 -39.86 0.62 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.275 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.524 ' N ' ' HG ' ' A' ' 103' ' ' SER . 0.3 OUTLIER -85.16 -21.85 29.04 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.37 -179.401 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.94 -63.89 1.51 Allowed Glycine 0 CA--C 1.525 0.7 0 C-N-CA 120.291 -0.957 . . . . 0.0 110.842 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 60.3 m -79.37 -69.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.748 0.309 . . . . 0.0 111.114 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.7 -25.78 60.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.618 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -67.38 -61.37 5.14 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.606 -0.997 . . . . 0.0 110.606 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -49.54 -29.6 7.15 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.875 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 3.7 t -71.82 -44.48 67.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.054 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 44.3 ttt85 -54.25 -58.75 6.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.209 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.65 -45.86 58.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.368 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 117' ' ' ASN . 5.6 t80 -53.13 -51.3 62.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.414 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 116' ' ' GLU . 8.9 mt -61.92 -58.57 7.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.448 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -49.68 -16.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.396 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 114' ' ' LEU . 36.8 tt0 -110.06 -22.5 11.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.495 ' C ' ' H ' ' A' ' 119' ' ' HIS . 3.8 m120 -135.19 46.88 2.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.782 0.325 . . . . 0.0 111.021 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.471 ' C ' ' H ' ' A' ' 120' ' ' VAL . 1.0 OUTLIER -49.72 -11.8 0.06 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.719 -179.858 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.51 ' CE1' ' CG2' ' A' ' 120' ' ' VAL . 6.6 p80 -76.94 19.3 0.3 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.887 0.375 . . . . 0.0 110.534 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.51 ' CG2' ' CE1' ' A' ' 119' ' ' HIS . 41.5 t -143.04 136.98 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.506 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -91.64 129.32 37.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.556 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.14 112.7 24.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.505 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -110.92 128.48 55.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.361 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.1 mm -106.53 125.3 62.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -123.94 105.02 9.26 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.761 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -96.07 111.12 23.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.157 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -78.54 -40.38 35.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -135.37 152.64 51.63 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.55 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.424 ' H ' ' CD ' ' A' ' 128' ' ' ARG . 3.5 mt -124.3 97.51 4.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.677 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -150.99 37.1 0.62 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.52 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 132' ' ' TYR . 11.0 t70 -84.01 160.04 21.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.641 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . 0.529 ' N ' ' OD1' ' A' ' 131' ' ' ASP . 0.2 OUTLIER -81.81 10.14 6.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.67 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.52 ' C ' ' H ' ' A' ' 135' ' ' LEU . 5.9 m-20 -126.02 78.66 70.06 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.748 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.509 ' C ' ' H ' ' A' ' 136' ' ' TYR . 50.7 Cg_exo -51.42 -4.11 0.08 OUTLIER 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.713 2.276 . . . . 0.0 112.357 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.52 ' H ' ' C ' ' A' ' 133' ' ' ASP . 5.8 mt -57.17 -4.4 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.583 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.509 ' H ' ' C ' ' A' ' 134' ' ' PRO . 1.5 p90 -46.14 -23.84 0.37 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.682 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 41.9 tttp -76.8 -62.27 1.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.335 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -52.2 -19.58 2.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.286 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -77.67 -55.3 5.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.361 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.9 tt -54.67 -20.66 8.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.333 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -83.99 -61.04 1.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.158 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -64.42 -24.19 67.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.963 -179.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 16.1 tp -79.98 -53.22 6.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.464 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -47.72 -42.23 24.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.456 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -23.07 67.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.607 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.36 -20.2 55.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.616 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 112.59 -34.36 5.18 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -41.83 151.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.757 0.313 . . . . 0.0 110.469 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -97.4 137.96 35.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.572 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.31 119.99 45.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.493 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.16 161.87 41.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.596 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -90.91 144.26 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.53 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.587 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 9.3 ttt -55.88 115.01 2.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.502 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 23.8 p -98.16 167.05 11.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.645 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -48.14 -58.15 4.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.565 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.84 -46.94 21.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.633 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.64 -38.12 89.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.778 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.587 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 1.1 m-85 -62.21 -46.62 88.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.775 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 14.3 ttpp -55.29 -52.24 64.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . 0.599 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -67.32 -54.51 20.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.779 -179.667 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.599 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 8.4 t -56.3 -23.78 38.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.018 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' TRP . . . . . 0.632 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 3.2 t-105 -72.45 -68.07 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.89 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . 0.632 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.5 OUTLIER -64.57 -14.18 56.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.331 -179.23 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 98.3 m -82.91 -26.19 31.73 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.811 -0.355 . . . . 0.0 111.091 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -121.6 18.8 11.22 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.515 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.558 ' C ' ' H ' ' A' ' 168' ' ' HIS . 65.6 t -134.36 154.57 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 121.102 0.477 . . . . 0.0 111.266 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . 0.432 ' N ' ' CG1' ' A' ' 166' ' ' VAL . 1.6 t70 -76.08 33.24 0.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.557 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.733 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -37.95 -52.69 1.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.097 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . 0.623 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 15.0 mm-40 39.93 17.9 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.454 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . 0.733 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 141.68 -0.67 1.7 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . 0.606 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 1.4 m -114.31 86.89 12.68 Favored Pre-proline 0 CA--C 1.531 0.214 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -78.08 162.33 28.96 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.06 1.84 . . . . 0.0 112.732 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -51.53 136.45 26.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.644 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -120.21 84.45 34.2 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.657 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -48.66 138.97 24.74 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 122.257 1.971 . . . . 0.0 112.194 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -100.74 178.34 4.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.633 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . 0.435 ' N ' ' OD1' ' A' ' 177' ' ' ASP . 1.2 m-20 -81.25 86.8 6.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.582 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 155.8 -19.41 0.5 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.5 -45.7 80.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.529 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -59.49 4.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.622 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -55.15 -61.78 2.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.592 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -42.48 -42.36 3.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.593 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 2.8 t -58.28 -49.36 77.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.621 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -53.71 -35.75 61.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -61.81 -59.54 5.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.547 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 7.7 mt -55.96 -57.94 9.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.532 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 1.1 m -52.56 -44.49 65.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.557 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -52.12 -37.47 46.25 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -66.25 -58.82 4.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.788 0.327 . . . . 0.0 110.569 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -46.95 -39.16 11.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.416 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -66.32 -48.82 69.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.522 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -47.66 -48.86 28.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.564 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . 0.437 ' CD1' ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -69.56 -30.6 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.597 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 2.3 tp . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.535 -179.967 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.818 0.342 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.562 ' CD2' ' N ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -98.36 174.31 6.55 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.397 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.1 ptp -76.97 167.49 21.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.079 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -74.7 123.92 89.34 Favored Pre-proline 0 CA--C 1.539 0.52 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.614 -179.617 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.424 ' O ' ' OG1' ' A' ' 19' ' ' THR . 72.2 Cg_exo -43.24 -17.1 0.09 OUTLIER 'Trans proline' 0 N--CA 1.491 1.348 0 C-N-CA 121.767 1.645 . . . . 0.0 111.546 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.568 ' CG ' ' N ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -75.41 -58.31 3.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.001 -179.707 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.568 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 26.3 pt -61.86 -19.69 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.888 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -74.0 -61.26 1.91 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.663 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -53.69 -23.92 12.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.162 179.618 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.503 ' C ' ' H ' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -85.21 -61.05 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.609 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -55.98 -6.28 0.23 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.711 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.503 ' H ' ' C ' ' A' ' 20' ' ' SER . 34.8 m-85 -127.99 12.6 6.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.734 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.39 109.56 12.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.584 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.414 ' OD1' ' NH2' ' A' ' 128' ' ' ARG . 0.5 OUTLIER -41.08 135.68 1.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.648 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.726 ' H ' HH12 ' A' ' 128' ' ' ARG . . . 88.37 98.61 0.96 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.4 pt -147.85 -171.67 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.736 0.303 . . . . 0.0 110.545 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.58 46.62 0.07 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.52 162.12 35.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.767 0.318 . . . . 0.0 110.576 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -99.87 100.97 11.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.77 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -172.51 36.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.217 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.517 ' OG1' ' ND2' ' A' ' 57' ' ' ASN . 1.3 p -47.49 162.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.946 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -125.28 149.03 48.43 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.379 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.6 tp -134.25 112.97 11.5 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.618 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.0 103.06 12.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.955 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.467 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 34.4 p90 -95.4 136.97 35.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 -179.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -121.83 157.54 30.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.961 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.2 t -135.19 128.87 49.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.353 . . . . 0.0 110.86 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.57 139.44 31.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.609 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.489 HH22 ' CD ' ' A' ' 88' ' ' GLN . 5.6 ptm85 -92.16 146.49 23.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.591 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 mp -103.89 132.35 50.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.634 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -145.17 101.98 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.589 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 56.72 38.69 29.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.52 -26.98 8.27 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.7 m -72.3 114.51 10.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.77 0.319 . . . . 0.0 110.601 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.0 m -102.02 106.91 17.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.586 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 63.4 t -95.29 132.4 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.411 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -89.76 136.85 32.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.644 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -91.15 146.21 24.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.481 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.68 -49.81 6.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.612 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -97.9 72.33 2.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.615 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -170.42 -7.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.556 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 -103.57 170.77 7.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.625 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.467 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . 177.17 178.94 47.26 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -142.16 147.69 37.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.827 0.346 . . . . 0.0 110.714 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mp -134.85 178.57 6.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.701 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.628 ' CE1' HH22 ' A' ' 74' ' ' ARG . 10.2 p80 -135.31 160.58 37.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.577 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.517 ' ND2' ' OG1' ' A' ' 31' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-O 120.895 0.378 . . . . 0.0 110.647 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.672 ' CD2' ' H ' ' A' ' 70' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.785 0.326 . . . . 0.0 110.63 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.441 ' H ' ' ND2' ' A' ' 57' ' ' ASN . . . -56.27 -36.3 68.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.484 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.456 ' CB ' ' SG ' ' A' ' 106' ' ' CYS . 1.1 mm-40 -45.65 -42.28 11.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.661 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.509 ' CD1' ' CE1' ' A' ' 70' ' ' HIS . 13.9 mt -68.31 -57.63 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.486 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.628 HH22 ' CE1' ' A' ' 56' ' ' HIS . 5.0 ttm180 -47.42 -26.44 1.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.379 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -79.14 -37.39 38.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.435 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.94 -30.12 68.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.26 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -74.17 -18.12 60.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.386 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.31 -27.89 42.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.604 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.7 t -38.69 -59.81 1.26 Allowed Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.556 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.521 ' C ' ' H ' ' A' ' 82' ' ' LEU . 8.5 Cg_endo -50.62 -42.51 49.6 Favored 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 121.884 1.723 . . . . 0.0 111.998 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.57 -8.95 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.571 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.521 ' H ' ' C ' ' A' ' 80' ' ' PRO . 44.9 mt -102.08 -24.38 13.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.522 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 47.79 50.84 14.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.68 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 mt -61.82 134.48 56.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.569 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.53 160.92 26.03 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.403 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' A' ' 87' ' ' ALA . 43.1 Cg_endo -70.01 3.83 2.66 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 122.525 2.15 . . . . 0.0 112.272 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 86' ' ' PRO . . . -41.21 -94.63 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.67 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.677 ' NE2' ' H ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -103.36 -177.06 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.575 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.42 ' CG2' ' N ' ' A' ' 90' ' ' TYR . 3.2 mm -84.94 157.48 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.559 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.42 ' N ' ' CG2' ' A' ' 89' ' ' ILE . 10.9 m-85 -136.01 168.81 18.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.673 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.518 ' NH1' HH11 ' A' ' 123' ' ' ARG . 11.2 ttt180 -148.12 112.42 5.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.449 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 82.3 t -96.8 118.88 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.3 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.9 m -102.59 121.6 42.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 27.9 m0 -100.6 131.14 46.67 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.98 0.419 . . . . 0.0 110.675 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -120.7 102.76 8.61 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 177.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -109.94 137.06 43.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.166 0.508 . . . . 0.0 111.934 -177.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.0 p -80.71 -26.59 37.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.453 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -110.87 178.3 4.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.018 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 100' ' ' PRO . 1.8 t -92.37 151.31 41.31 Favored Pre-proline 0 CA--C 1.532 0.272 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.581 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 99' ' ' SER . 64.2 Cg_exo -42.2 171.02 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.355 0 C-N-CA 122.195 1.93 . . . . 0.0 112.317 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.586 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 30.3 p -108.05 -126.8 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.391 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.586 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -73.42 105.74 4.92 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.2 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 89.4 p -40.03 -25.87 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.015 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.458 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -84.9 -29.34 25.28 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.201 -179.581 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -77.3 -61.69 2.58 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . 0.456 ' SG ' ' CB ' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -74.1 -69.17 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.688 0.28 . . . . 0.0 111.219 -179.644 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -50.69 -27.64 7.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.088 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.13 -56.89 10.49 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.17 -39.04 81.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.79 0.328 . . . . 0.0 110.528 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 91.0 t -69.48 -58.57 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.515 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -41.87 -59.02 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.438 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.28 -46.3 62.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.522 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.514 ' O ' ' N ' ' A' ' 117' ' ' ASN . 20.3 t80 -54.35 -48.44 71.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.627 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.448 ' C ' ' N ' ' A' ' 116' ' ' GLU . 6.9 mp -66.66 -58.52 4.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.573 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -47.71 -18.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.301 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 114' ' ' LEU . 30.2 tt0 -110.21 -25.4 10.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.514 ' N ' ' O ' ' A' ' 113' ' ' PHE . 2.5 m120 -137.03 53.9 1.88 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.843 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.0 t -61.83 2.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.827 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.511 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.1 OUTLIER -76.07 6.99 4.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.88 0.372 . . . . 0.0 110.313 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.1 p -131.68 144.61 36.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.488 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.35 148.7 22.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.389 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.08 112.95 10.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.689 -179.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.518 HH11 ' NH1' ' A' ' 91' ' ' ARG . 17.1 mtp180 -112.58 127.06 55.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.123 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.0 mm -105.93 121.33 58.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.091 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.403 ' CD1' ' OE1' ' A' ' 157' ' ' GLU . 61.1 m-85 -119.89 101.77 8.1 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.807 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -91.64 111.29 22.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.159 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -76.38 -56.39 4.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.115 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.726 HH12 ' H ' ' A' ' 25' ' ' GLY . 13.1 mtp180 -121.05 170.66 9.31 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.905 0.383 . . . . 0.0 110.784 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 6.2 mt -133.94 124.66 47.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.753 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -165.38 107.72 0.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.509 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.426 ' C ' ' H ' ' A' ' 133' ' ' ASP . 2.5 p30 -171.31 138.78 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.63 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -75.25 9.99 1.79 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.394 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.536 ' C ' ' H ' ' A' ' 135' ' ' LEU . 50.6 m-20 -120.84 81.97 34.77 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.503 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.521 ' C ' ' H ' ' A' ' 136' ' ' TYR . 50.3 Cg_exo -50.18 -4.26 0.06 OUTLIER 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 122.527 2.151 . . . . 0.0 112.543 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.536 ' H ' ' C ' ' A' ' 133' ' ' ASP . 5.4 mt -49.99 -10.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.624 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.521 ' H ' ' C ' ' A' ' 134' ' ' PRO . 1.1 p90 -48.9 -30.81 6.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.524 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.409 ' CG ' ' N ' ' A' ' 138' ' ' GLU . 33.1 pttt -61.08 -45.67 93.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.266 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.409 ' N ' ' CG ' ' A' ' 137' ' ' LYS . 4.8 tt0 -61.85 -37.74 85.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.401 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -58.67 -38.57 78.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.387 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.8 mt -67.28 -38.15 84.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.571 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -74.32 -60.74 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.662 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.8 mmm -46.47 -38.29 8.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.505 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 16.8 mt -64.9 -49.1 71.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -49.09 -53.34 21.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.505 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.422 ' N ' ' OD1' ' A' ' 145' ' ' ASP . 1.6 m-20 -58.15 -11.15 2.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.531 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -96.71 5.01 51.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.652 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 67.21 15.35 65.33 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -85.27 159.39 20.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.726 0.298 . . . . 0.0 110.579 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -96.7 134.09 40.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.55 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.87 116.58 30.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.537 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.18 160.21 42.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.612 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -85.79 142.38 13.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.49 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.54 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 4.5 ttt -49.91 122.31 6.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.521 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 25.1 p -100.51 177.12 5.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.688 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -63.64 -44.28 94.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.728 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.68 -46.11 90.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.622 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . 0.403 ' OE1' ' CD1' ' A' ' 125' ' ' PHE . 65.1 mt-10 -64.66 -29.15 70.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.63 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.54 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 0.5 OUTLIER -64.78 -51.59 61.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.664 -179.9 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . 0.431 ' O ' ' OD2' ' A' ' 163' ' ' ASP . 32.3 tttm -56.41 -49.66 73.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . 0.592 ' CD2' ' N ' ' A' ' 161' ' ' CYS . 0.6 OUTLIER -66.94 -57.85 6.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.849 -179.714 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.592 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 12.7 t -56.41 -23.37 37.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.021 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' TRP . . . . . 0.614 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 6.6 t-105 -71.02 -70.68 0.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.18 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . 0.614 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.3 OUTLIER -66.91 -14.32 62.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.652 -179.025 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 79.8 m -81.28 -27.0 35.28 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.126 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -121.85 19.63 10.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.752 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.574 ' C ' ' H ' ' A' ' 168' ' ' HIS . 75.5 t -134.14 153.48 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 121.062 0.458 . . . . 0.0 111.552 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -76.12 34.55 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.282 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.728 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -41.22 -54.33 2.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.733 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . 0.623 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 64.4 mt-30 41.93 16.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.141 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . 0.728 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 144.16 -2.5 1.36 Allowed Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.367 -0.693 . . . . 0.0 111.367 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . 0.623 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 0.5 OUTLIER -98.97 107.19 42.46 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.783 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -77.12 158.34 33.91 Favored 'Trans proline' 0 N--CA 1.489 1.235 0 C-N-CA 121.711 1.607 . . . . 0.0 112.398 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -51.54 149.96 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.697 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -114.29 84.78 9.75 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.434 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -77.84 131.27 11.06 Favored 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 122.142 1.895 . . . . 0.0 112.198 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 27.9 p90 -92.27 176.18 6.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.564 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.28 86.46 5.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.366 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 180' ' ' ASP . . . -168.18 -22.33 0.02 OUTLIER Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . 0.441 ' O ' ' OG ' ' A' ' 183' ' ' SER . 10.4 mp -39.38 -30.11 0.06 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.934 0.397 . . . . 0.0 110.657 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 178' ' ' GLY . 1.9 m-20 -55.97 -63.41 1.19 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.212 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -84.89 -54.89 4.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 182' ' ' HIS . . . . . 0.461 ' ND1' ' C ' ' A' ' 182' ' ' HIS . 0.0 OUTLIER -41.71 -44.0 3.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.052 -179.337 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 183' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' A' ' 179' ' ' LEU . 5.5 p -78.99 -55.88 4.8 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.749 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . 0.417 ' N ' ' OG ' ' A' ' 183' ' ' SER . 31.6 mt-30 -49.23 -23.22 1.25 Allowed 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.402 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -79.29 -63.24 1.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.475 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 4.8 mt -58.77 -53.37 59.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.378 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 8.0 t -59.98 -43.33 95.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.257 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -51.64 -43.35 53.36 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 12.6 mmm-85 -59.84 -61.32 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.753 0.311 . . . . 0.0 110.234 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.9 mp -45.92 -45.11 15.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.35 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -53.15 -41.19 64.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.41 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -61.22 -41.85 97.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.563 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.8 mp -69.92 -34.79 61.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.466 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.652 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.027 0.442 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.623 ' CD2' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -119.52 164.01 16.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.885 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 18.6 ptp -91.0 166.97 12.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.381 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.71 141.62 97.86 Favored Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.5 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.439 ' O ' ' OG1' ' A' ' 19' ' ' THR . 73.6 Cg_exo -41.14 -46.88 5.3 Favored 'Trans proline' 0 N--CA 1.489 1.259 0 C-N-CA 122.031 1.821 . . . . 0.0 112.366 179.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -67.49 -45.23 76.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.272 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.9 mm -48.84 -43.62 14.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.699 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -71.29 -60.96 1.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.788 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.529 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -44.48 -55.74 4.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.514 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.7 t -49.77 -52.1 34.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.685 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.42 ' OD1' ' CE1' ' A' ' 32' ' ' TYR . 6.8 m120 -63.02 -15.49 56.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.63 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -133.16 35.01 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.63 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 19' ' ' THR . 27.5 t-20 -98.69 59.56 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.613 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.429 ' O ' ' O ' ' A' ' 23' ' ' ASN . 12.2 t-20 41.77 94.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.577 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.616 ' H ' ' HE ' ' A' ' 128' ' ' ARG . . . 105.14 166.99 23.98 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.4 pp -140.39 -167.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 121.13 -0.228 . . . . 0.0 110.486 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -117.59 -88.76 1.33 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.97 137.1 3.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.0 110.617 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.6 m170 47.3 68.48 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.471 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.85 20.48 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.33 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.0 p -46.93 127.25 9.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.798 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.42 ' CE1' ' OD1' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -109.11 147.65 32.1 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.525 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.7 tp -142.96 111.73 6.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.365 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.539 ' SG ' ' CG ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -100.19 115.15 29.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.143 179.585 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.468 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 42.0 p90 -104.17 134.45 47.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.727 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 1.3 tm-20 -129.76 130.96 46.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.415 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.487 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 58.9 t -104.67 118.94 52.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.775 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -122.26 166.31 14.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.304 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -128.71 133.42 48.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.185 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mp -101.4 99.09 9.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.836 0.351 . . . . 0.0 110.672 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.83 99.08 8.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.564 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 54.12 48.3 21.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.691 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.51 -24.9 4.69 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.6 m -71.04 101.18 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.734 0.302 . . . . 0.0 110.585 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.7 p -90.56 122.99 33.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.539 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -133.76 124.97 48.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.606 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 pttp -81.71 139.54 34.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.548 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 mmt -76.45 161.41 28.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.601 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.91 -50.25 5.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.552 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.446 ' O ' ' CG ' ' A' ' 50' ' ' GLN . 2.3 pt20 -106.71 77.4 1.18 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.407 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.458 ' ND1' ' CB ' ' A' ' 37' ' ' VAL . 8.3 t-80 -172.29 2.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.518 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -113.34 170.14 8.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.665 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.468 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . 172.75 -167.7 40.61 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -144.29 156.52 44.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.786 0.327 . . . . 0.0 110.617 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.2 mt -137.5 178.61 6.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.583 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -154.93 151.02 28.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.377 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 15.4 p-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.732 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.654 ' CD2' ' H ' ' A' ' 70' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.904 0.383 . . . . 0.0 110.523 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.46 -42.23 62.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.408 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -50.84 -35.9 34.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.621 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.7 mp -70.5 -54.0 13.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.531 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -55.52 -24.66 33.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.353 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -74.51 -49.43 22.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.235 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.4 tp -61.42 -19.46 61.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.469 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -40.31 94.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.625 -179.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 pp -95.25 -5.32 43.98 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.283 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.408 ' CG1' ' CZ ' ' A' ' 113' ' ' PHE . 3.2 t -55.04 -58.06 16.6 Favored Pre-proline 0 CA--C 1.535 0.376 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.386 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.402 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 12.9 Cg_endo -56.82 -17.37 23.22 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.599 1.532 . . . . 0.0 111.827 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 p -66.74 -8.75 30.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.621 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 33.6 mt -92.28 -24.74 18.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.579 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 51.08 49.49 21.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.814 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.4 mt -58.25 136.86 57.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.348 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.0 161.38 25.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.62 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.88 -10.52 24.89 Favored 'Trans proline' 0 C--N 1.31 -1.481 0 C-N-CA 122.664 2.243 . . . . 0.0 112.1 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.43 ' C ' ' NE2' ' A' ' 88' ' ' GLN . . . -40.85 -77.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.691 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.57 ' NE2' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -109.54 161.47 15.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.453 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -89.08 153.33 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.415 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -129.23 132.17 47.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -97.97 110.58 23.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.771 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.7 t -90.64 110.28 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.203 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.74 119.36 32.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.67 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -103.55 132.02 50.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.786 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.535 ' CE1' ' OE1' ' A' ' 157' ' ' GLU . 79.5 m-85 -125.13 103.32 7.92 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.79 145.67 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.095 0.474 . . . . 0.0 111.886 -178.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.487 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 2.8 p -96.95 -29.54 13.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.955 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -111.72 140.78 46.06 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.583 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.03 160.7 54.3 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.426 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -60.25 173.01 2.13 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 122.517 2.144 . . . . 0.0 112.108 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -111.76 -57.35 2.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.2 OUTLIER -127.0 109.28 11.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.859 179.817 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.528 ' O ' ' N ' ' A' ' 108' ' ' GLY . 93.5 p -41.11 -34.67 0.47 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.893 -179.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -85.28 -22.81 28.42 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.371 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.36 -63.17 1.59 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.7 -67.99 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.643 0.258 . . . . 0.0 111.105 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.04 -31.06 69.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.935 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -65.23 -59.24 8.12 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -53.83 -27.91 32.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.91 0.386 . . . . 0.0 110.303 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.7 t -72.28 -63.01 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.75 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -51.2 -32.2 22.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.205 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.36 -61.62 2.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.148 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.408 ' CZ ' ' CG1' ' A' ' 79' ' ' VAL . 31.6 t80 -46.29 -31.36 2.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.175 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.3 tp -70.92 -52.9 17.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.27 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -48.67 -24.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.36 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -99.15 -46.35 5.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.16 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.518 ' O ' ' N ' ' A' ' 119' ' ' HIS . 3.1 m120 -104.3 41.59 1.29 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.998 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.493 ' C ' ' H ' ' A' ' 120' ' ' VAL . 15.1 t -45.56 -13.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.146 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.538 ' CE1' ' CG1' ' A' ' 120' ' ' VAL . 17.6 p80 -76.24 20.37 0.21 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.918 0.389 . . . . 0.0 110.579 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.538 ' CG1' ' CE1' ' A' ' 119' ' ' HIS . 4.2 m -142.0 146.58 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.825 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.32 148.45 22.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.191 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.18 112.31 14.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.618 -179.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.597 HH21 HE21 ' A' ' 149' ' ' GLN . 44.9 mtp180 -117.17 117.68 30.24 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.954 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.7 mt -105.63 134.76 46.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.372 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -127.13 116.25 20.37 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.438 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -95.31 113.83 25.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.254 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -85.93 -41.21 15.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.616 ' HE ' ' H ' ' A' ' 25' ' ' GLY . 0.5 OUTLIER -135.72 142.99 45.12 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.446 179.826 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.521 ' O ' ' CG ' ' A' ' 130' ' ' TYR . 0.5 OUTLIER -103.15 119.83 52.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.747 -179.754 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.521 ' CG ' ' O ' ' A' ' 129' ' ' ILE . 28.3 m-85 -164.64 119.77 1.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.451 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.521 ' C ' ' H ' ' A' ' 133' ' ' ASP . 1.8 p-10 -179.77 133.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.603 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -70.04 9.89 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.503 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.534 ' C ' ' H ' ' A' ' 135' ' ' LEU . 35.2 t0 -126.23 79.4 70.03 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.344 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.523 ' C ' ' H ' ' A' ' 136' ' ' TYR . 52.9 Cg_exo -49.11 -5.27 0.05 OUTLIER 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 122.669 2.246 . . . . 0.0 112.625 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.534 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.6 tp -49.17 -11.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.36 . . . . 0.0 110.63 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.523 ' H ' ' C ' ' A' ' 134' ' ' PRO . 0.1 OUTLIER -42.17 -26.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.534 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -62.83 -55.94 21.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.388 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -62.61 -18.77 62.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.432 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.83 -52.02 41.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.449 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.54 -35.61 81.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.52 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -71.58 -58.06 3.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.536 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.8 mmm -47.06 -36.44 8.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.491 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.1 tp -80.56 -34.01 35.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.585 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -52.98 -37.66 61.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.55 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.33 -3.04 58.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.525 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -95.29 -22.13 17.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.632 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 90.25 87.5 1.34 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -156.54 163.7 39.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.753 0.311 . . . . 0.0 110.537 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . 0.597 HE21 HH21 ' A' ' 123' ' ' ARG . 0.0 OUTLIER -103.1 108.31 19.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.678 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -116.82 121.35 67.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.436 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.36 162.09 41.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.825 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.3 tp -82.74 152.19 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.415 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 9.0 ttm -45.71 123.58 4.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.658 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 2.6 p -105.41 171.98 7.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.477 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -55.84 -59.22 5.18 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.397 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 156' ' ' ASP . 13.2 p-10 -60.7 -20.44 61.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . 0.535 ' OE1' ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -51.15 -66.19 0.43 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 -179.527 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.575 ' CE1' ' CE2' ' A' ' 173' ' ' PHE . 13.2 p90 -72.32 -29.69 64.06 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.136 -179.233 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . 0.445 ' N ' ' CD1' ' A' ' 158' ' ' PHE . 19.9 tttp -49.28 -60.75 2.55 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.543 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . 0.552 ' CD2' ' N ' ' A' ' 161' ' ' CYS . 0.2 OUTLIER -68.22 -57.74 5.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.901 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.552 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 1.7 m -47.29 -31.58 3.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.837 -179.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' TRP . . . . . 0.514 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 15.5 t-105 -66.86 -70.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.475 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . 0.514 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -52.96 -19.42 2.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.843 -179.839 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 5.1 m -87.69 -57.13 3.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.955 -179.203 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.539 ' CG ' ' SG ' ' A' ' 34' ' ' CYS . 65.4 m-85 -85.72 20.0 2.29 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.531 ' C ' ' H ' ' A' ' 168' ' ' HIS . 61.1 t -144.03 134.87 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.295 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 169' ' ' GLN . 10.3 t0 -74.98 41.52 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 178.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.682 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -44.47 -15.75 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.542 -179.612 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . 0.528 ' N ' ' O ' ' A' ' 167' ' ' ASP . 35.3 mm-40 42.78 15.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.474 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . 0.682 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 122.79 29.79 1.22 Allowed Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.439 -0.665 . . . . 0.0 111.439 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . 0.584 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.8 OUTLIER -116.12 85.21 14.92 Favored Pre-proline 0 CA--C 1.534 0.333 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.695 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -47.96 162.17 0.3 Allowed 'Trans proline' 0 N--CA 1.492 1.412 0 C-N-CA 122.428 2.086 . . . . 0.0 112.582 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . 0.575 ' CE2' ' CE1' ' A' ' 158' ' ' PHE . 56.1 t80 -54.53 149.92 9.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.175 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -114.51 86.0 11.87 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.203 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -78.13 139.17 16.79 Favored 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 122.167 1.912 . . . . 0.0 112.649 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 42.9 p90 -98.12 -165.64 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.525 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -101.72 109.99 21.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.627 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 152.24 -19.11 0.82 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.856 -0.897 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . 0.431 ' O ' ' OG ' ' A' ' 183' ' ' SER . 4.3 mp -40.5 -41.52 1.45 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.736 0.303 . . . . 0.0 110.743 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . 0.48 ' N ' ' OD1' ' A' ' 180' ' ' ASP . 17.4 p-10 -68.74 -52.18 33.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.839 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -60.84 -61.69 2.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.737 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 182' ' ' HIS . . . . . 0.422 ' CD2' HD22 ' A' ' 24' ' ' ASN . 68.4 m-70 -48.55 -55.0 12.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.603 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 183' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 179' ' ' LEU . 59.3 p -50.01 -46.69 53.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.634 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -61.37 -36.97 81.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.536 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -70.05 -65.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.58 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 7.0 mt -52.3 -53.2 47.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.536 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 17.5 t -55.65 -33.16 63.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.502 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -59.06 -48.17 87.22 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -60.19 -51.51 69.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 110.451 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.88 -48.33 31.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -66.56 -27.64 67.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.56 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.43 92.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.577 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . 0.447 ' CD1' ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -84.79 -27.39 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.566 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.644 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.878 0.37 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.591 ' CD2' ' N ' ' A' ' 12' ' ' LEU . 1.5 mm? -100.87 172.96 6.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.951 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.489 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 1.7 mpp? -84.56 160.33 20.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.216 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -76.33 145.77 76.74 Favored Pre-proline 0 CA--C 1.535 0.393 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.481 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -40.56 -53.01 2.9 Favored 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 122.172 1.915 . . . . 0.0 112.341 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -63.14 -49.23 75.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.099 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.9 mm -48.9 -39.8 11.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.85 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -72.16 -60.55 2.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.756 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 23' ' ' ASN . 40.0 p -47.89 -40.96 23.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.684 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 t -60.51 -51.04 71.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.638 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.603 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 14.3 m120 -73.98 -4.71 36.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.574 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -133.26 25.22 4.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.539 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' A' ' 19' ' ' THR . 0.6 OUTLIER -75.08 59.39 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.498 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.535 HD22 ' CD2' ' A' ' 182' ' ' HIS . 5.1 t-20 42.05 -144.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.472 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -42.75 126.25 4.64 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.407 ' O ' ' OH ' ' A' ' 130' ' ' TYR . 5.9 pt -135.12 -174.96 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.828 0.347 . . . . 0.0 110.576 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.79 83.35 0.08 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.522 ' O ' ' CH2' ' A' ' 98' ' ' TRP . 0.2 OUTLIER -162.52 157.35 22.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 110.526 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -93.65 82.15 4.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.537 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -169.71 45.17 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.678 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.0 t -46.58 148.88 0.88 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.858 0.361 . . . . 0.0 111.125 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.603 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -110.43 148.27 32.37 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.643 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 tp -138.55 111.13 7.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.152 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.41 112.17 25.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.329 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.562 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 20.8 p90 -102.53 139.52 38.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 1.1 tm-20 -125.51 139.17 53.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.198 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.519 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 8.7 t -110.17 128.22 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -136.61 149.58 48.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.389 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.488 ' NH1' ' OD2' ' A' ' 41' ' ' ASP . 58.4 ttt-85 -104.42 133.58 49.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.602 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 tp -91.31 127.94 36.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.578 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.488 ' OD2' ' NH1' ' A' ' 39' ' ' ARG . 1.7 t70 -143.38 106.71 4.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.609 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.48 ' C ' ' H ' ' A' ' 44' ' ' THR . 49.2 t30 57.12 43.46 24.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.565 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.15 -25.43 1.9 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.48 ' H ' ' C ' ' A' ' 42' ' ' ASN . 96.3 m -79.71 113.03 17.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 0.0 110.548 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.1 p -79.44 148.79 31.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.546 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.2 t -128.79 99.73 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.495 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -68.77 136.69 53.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.571 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 mtp -97.16 150.44 20.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.587 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -93.46 -50.08 5.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.635 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.421 ' O ' ' OE1' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -100.14 74.5 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.482 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.44 ' ND1' ' CB ' ' A' ' 37' ' ' VAL . 24.2 t-80 -172.25 -5.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.476 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.9 170.97 7.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.555 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -175.91 178.52 47.39 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -139.51 148.23 42.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.725 0.298 . . . . 0.0 110.566 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mt -135.87 176.21 8.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.579 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.407 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -139.81 152.82 46.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.328 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.551 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 3.1 p-10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.612 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.81 0.338 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.1 -15.24 3.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.27 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -48.2 -52.22 21.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.472 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.4 mt -63.07 -51.9 64.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.353 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.87 -28.36 22.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.3 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.562 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 54.9 t80 -79.8 -39.4 30.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.371 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.1 tp -58.77 -23.8 60.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.058 0.456 . . . . 0.0 110.055 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.1 -15.62 61.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.53 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.6 tt -93.42 -16.37 24.65 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.194 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.562 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -58.03 -42.05 93.1 Favored Pre-proline 0 CA--C 1.532 0.278 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.57 -178.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 9.5 Cg_exo -68.27 -24.07 38.04 Favored 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.519 2.146 . . . . 0.0 111.913 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -8.57 54.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.816 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.454 ' C ' ' H ' ' A' ' 84' ' ' LEU . 29.7 mt -98.29 2.29 48.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.778 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 51.63 12.36 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.662 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.454 ' H ' ' C ' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -47.99 120.73 3.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.522 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.74 162.31 20.08 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -73.26 -25.91 15.19 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 C-N-CA 122.618 2.212 . . . . 0.0 112.005 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.429 ' C ' ' NE2' ' A' ' 88' ' ' GLN . . . -40.47 -71.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.792 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.639 ' NE2' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -84.01 -175.61 5.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.526 -179.796 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.458 ' O ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -121.83 157.28 25.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.251 179.736 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.458 ' CD1' ' O ' ' A' ' 89' ' ' ILE . 62.8 m-85 -150.69 135.91 17.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.96 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.568 HH21 ' CZ ' ' A' ' 123' ' ' ARG . 4.7 ttp180 -91.19 109.77 21.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.522 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 38.1 t -95.63 116.82 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.043 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.58 114.25 28.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.343 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 23.9 m0 -100.54 132.26 46.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.799 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -125.14 103.24 7.88 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.14 144.71 17.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.365 -178.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 1.6 p -94.58 -27.96 15.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.111 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.522 ' CH2' ' O ' ' A' ' 28' ' ' ARG . 17.5 m95 -111.65 147.08 36.29 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.169 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -70.3 157.92 88.79 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.642 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' A' ' 99' ' ' SER . 53.8 Cg_exo -42.32 171.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 122.462 2.108 . . . . 0.0 112.354 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 p -116.01 -44.68 2.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.292 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.524 ' O ' ' N ' ' A' ' 105' ' ' GLY . 3.2 t80 -143.79 114.39 7.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.976 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 54.1 p -42.88 -36.14 1.41 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.795 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -84.98 -19.2 32.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.086 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.45 -62.89 1.6 Allowed Glycine 0 CA--C 1.526 0.754 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.442 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.59 -69.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 0.0 111.328 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.97 -21.88 59.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.012 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -73.01 -59.6 4.22 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -53.13 -38.86 63.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.785 0.326 . . . . 0.0 110.548 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 74.6 t -69.68 -54.69 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.768 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 61.8 ttt-85 -44.94 -59.3 2.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.715 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.69 -61.55 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.473 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 117' ' ' ASN . 55.8 t80 -45.68 -42.97 12.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.376 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.46 ' C ' ' N ' ' A' ' 116' ' ' GLU . 1.5 mp -63.67 -58.57 6.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.502 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -46.86 -17.71 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.268 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.46 ' N ' ' C ' ' A' ' 114' ' ' LEU . 3.4 mt-10 -108.79 -30.18 8.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.099 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.509 ' C ' ' H ' ' A' ' 119' ' ' HIS . 3.6 m-80 -127.25 49.29 2.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.969 0.414 . . . . 0.0 110.78 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.449 ' C ' ' H ' ' A' ' 120' ' ' VAL . 0.1 OUTLIER -59.61 -1.0 0.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.777 179.884 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.509 ' H ' ' C ' ' A' ' 117' ' ' ASN . 7.9 p80 -76.31 13.35 0.95 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.945 0.402 . . . . 0.0 110.308 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.449 ' H ' ' C ' ' A' ' 118' ' ' THR . 15.4 m -131.89 133.51 60.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.689 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -91.51 100.71 13.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.192 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.74 112.6 21.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.64 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.568 ' CZ ' HH21 ' A' ' 91' ' ' ARG . 17.8 mtm180 -112.31 120.36 41.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.167 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 12.6 mt -106.0 129.58 58.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.031 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -123.05 98.24 5.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.062 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.08 108.81 10.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.491 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -78.57 -38.79 39.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.455 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.488 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -138.63 147.53 43.02 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.678 179.878 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.444 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 0.9 OUTLIER -105.16 141.1 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.561 -179.869 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.463 ' HH ' ' NH2' ' A' ' 128' ' ' ARG . 4.4 m-85 -168.63 135.17 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.566 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.41 171.66 3.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.545 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -104.01 -16.97 15.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.588 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.47 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -139.05 162.65 51.18 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.48 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -70.52 17.93 0.23 Allowed 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.573 2.182 . . . . 0.0 112.103 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.47 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.3 mt -61.81 -34.06 75.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.628 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -52.26 -21.26 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.622 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -70.61 -53.83 14.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.522 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -67.21 -21.21 65.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.587 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.95 -50.46 49.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.508 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.6 mp -61.76 -48.23 81.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.62 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -63.19 -59.73 4.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.513 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -44.53 -31.39 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.583 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.1 tp -81.9 -39.18 24.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.569 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -51.63 -33.83 34.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.599 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -73.45 -16.05 61.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.601 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.7 -19.93 51.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.606 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 102.55 -22.5 37.22 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -54.24 164.29 0.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.492 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -101.69 130.12 47.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.524 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.15 110.88 17.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.54 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 34.8 t -149.74 162.06 41.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.54 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . 0.444 ' CD1' ' N ' ' A' ' 152' ' ' ILE . 1.7 mp -80.01 137.03 22.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.487 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 1.1 tpt -43.53 133.18 4.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.562 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 60.4 p -104.3 151.91 22.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.56 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -45.42 -49.67 13.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.602 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -57.82 -49.99 74.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.483 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.22 -28.66 68.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.588 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.03 -38.89 86.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.531 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 17.1 tttm -65.96 -46.9 76.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.592 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . 0.59 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.39 -52.7 24.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.349 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.59 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 10.7 t -58.19 -23.57 56.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.592 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' TRP . . . . . 0.629 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 3.8 t-105 -71.45 -70.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.822 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . 0.629 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -62.71 -26.47 68.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.126 -179.524 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 91.6 m -70.82 -23.14 62.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.412 -179.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.489 ' O ' ' SD ' ' A' ' 13' ' ' MET . 52.1 m-85 -121.31 18.75 11.45 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.575 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.526 ' C ' ' H ' ' A' ' 168' ' ' HIS . 25.0 t -142.25 137.87 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.814 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . 0.522 ' C ' ' H ' ' A' ' 169' ' ' GLN . 2.4 p-10 -71.95 41.33 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.039 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.665 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.2 OUTLIER -50.93 -11.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.07 -179.839 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . 0.522 ' H ' ' C ' ' A' ' 167' ' ' ASP . 29.8 mm-40 44.72 14.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.958 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . 0.665 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 119.29 38.4 0.74 Allowed Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.626 -0.59 . . . . 0.0 111.626 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . 0.664 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.1 OUTLIER -120.45 109.47 36.59 Favored Pre-proline 0 CA--C 1.538 0.485 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 179.634 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -78.76 132.03 10.57 Favored 'Trans proline' 0 N--CA 1.488 1.155 0 C-N-CA 121.832 1.688 . . . . 0.0 112.143 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . 0.461 ' O ' ' CD2' ' A' ' 173' ' ' PHE . 1.2 t80 -83.94 119.48 24.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.671 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.18 156.56 46.2 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.93 138.15 30.74 Favored 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 122.382 2.055 . . . . 0.0 112.215 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -87.21 -171.54 3.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.333 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.87 94.65 9.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.402 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 138.66 -19.39 3.16 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 2.9 tt -44.88 -39.3 5.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.881 0.372 . . . . 0.0 110.546 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . 0.445 ' CG ' ' N ' ' A' ' 181' ' ' GLU . 0.9 OUTLIER -79.03 -44.07 22.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.537 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . 0.445 ' N ' ' CG ' ' A' ' 180' ' ' ASP . 59.7 mt-10 -54.58 -56.53 18.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.55 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 182' ' ' HIS . . . . . 0.535 ' CD2' HD22 ' A' ' 24' ' ' ASN . 93.0 m-70 -61.55 -52.99 62.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.549 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 58.5 m -48.17 -45.61 33.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.56 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -62.72 -39.86 95.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.565 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -62.36 -58.69 6.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.495 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 38.7 mt -59.81 -53.83 53.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.536 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 64.8 m -50.67 -41.69 55.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.573 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -55.81 -55.27 29.84 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.88 -55.53 9.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.844 0.354 . . . . 0.0 110.575 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.84 -48.9 76.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.372 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 2.0 mtm-85 -49.54 -26.34 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.547 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -83.84 -33.7 24.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.541 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 19.1 mt -70.6 -34.76 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.53 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.55 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.436 ' CD2' ' O ' ' A' ' 12' ' ' LEU . 19.6 t-160 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.87 0.367 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.436 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 7.6 mp -102.76 173.47 6.31 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.047 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 50.4 mtm -62.59 146.1 52.78 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.103 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 2.4 m-20 -65.66 141.71 97.93 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.599 -179.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.408 ' O ' ' OG1' ' A' ' 19' ' ' THR . 85.0 Cg_exo -40.81 -55.46 2.0 Favored 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 122.079 1.853 . . . . 0.0 112.22 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.412 ' O ' ' OG ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -60.69 -48.76 80.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.188 -179.631 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 mm -48.89 -51.5 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.649 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.42 ' CZ ' ' CD2' ' A' ' 22' ' ' PHE . 41.7 t80 -59.91 -60.87 3.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.663 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -45.34 -56.19 5.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.603 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 16' ' ' HIS . 1.1 m -52.45 -31.25 33.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.636 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.494 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 19.7 m120 -87.16 -10.76 51.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.625 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.42 ' CD2' ' CZ ' ' A' ' 18' ' ' PHE . 45.0 m-85 -133.21 28.62 4.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.475 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 19' ' ' THR . 26.8 t-20 -90.81 105.94 18.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.515 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.573 HD21 HH12 ' A' ' 128' ' ' ARG . 0.1 OUTLIER -41.26 150.59 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.614 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.571 ' H ' ' NH2' ' A' ' 128' ' ' ARG . . . 73.18 72.83 0.93 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 pt -137.55 175.29 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.601 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -162.25 9.47 0.1 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.5 ' O ' ' CZ2' ' A' ' 98' ' ' TRP . 0.1 OUTLIER -71.56 153.86 41.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.58 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -95.78 84.89 3.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.499 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -171.35 51.21 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.718 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.7 t -46.67 147.6 1.21 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.494 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -110.93 147.71 34.06 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.608 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.407 ' C ' ' CD2' ' A' ' 33' ' ' LEU . 3.5 tt -138.44 114.41 10.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.647 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.83 116.26 31.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.268 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.465 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 12.2 p90 -107.27 134.48 50.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.681 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.409 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 2.0 tm-20 -128.31 143.3 51.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.458 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.409 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 38.5 t -108.45 135.39 47.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.791 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -141.37 122.12 14.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.488 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -93.2 138.7 31.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.57 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.7 mt -86.43 149.02 25.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.543 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.71 96.96 1.8 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.515 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.513 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 0.9 OUTLIER 58.62 52.67 6.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.576 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.28 -6.38 4.31 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.466 ' H ' ' C ' ' A' ' 42' ' ' ASN . 0.6 OUTLIER -95.57 110.35 22.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.341 . . . . 0.0 110.595 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.8 p -80.08 116.06 19.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.541 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 84.1 t -100.96 114.38 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.6 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -78.85 141.42 37.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.465 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.59 142.69 31.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.743 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.466 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -96.11 -50.17 4.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.469 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -92.85 59.01 3.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.408 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -168.37 31.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.427 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.466 ' NH2' ' O ' ' A' ' 49' ' ' ASP . 0.4 OUTLIER -132.42 170.72 14.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.505 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -174.45 -178.82 44.64 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -149.47 138.94 21.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.712 0.291 . . . . 0.0 110.655 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 mp -135.35 162.08 33.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.513 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -131.05 160.64 34.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.45 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.624 -179.95 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.658 ' CD2' ' H ' ' A' ' 70' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.744 0.307 . . . . 0.0 110.577 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.03 -29.04 55.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.424 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.492 ' OE2' ' SG ' ' A' ' 106' ' ' CYS . 34.4 mt-10 -68.31 -36.9 80.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.409 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mp -72.72 -59.42 2.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.479 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.49 -30.67 8.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.382 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -74.12 -45.83 46.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.392 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -20.15 65.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.319 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -76.95 -27.83 54.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.011 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.422 ' C ' ' CD1' ' A' ' 78' ' ' LEU . 4.1 pp -106.14 7.25 31.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.584 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -64.29 -41.35 59.67 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 179.851 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 28.1 Cg_exo -58.88 -17.88 39.22 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.192 1.928 . . . . 0.0 111.84 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.1 m -56.89 -8.9 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.577 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.442 ' H ' ' C ' ' A' ' 80' ' ' PRO . 20.7 mt -101.19 -43.58 5.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.436 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 67.56 47.63 1.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.716 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 mt -56.16 136.06 52.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.44 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -101.6 157.48 33.59 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.476 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -69.9 -1.09 8.0 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 122.388 2.058 . . . . 0.0 112.096 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.469 ' C ' ' NE2' ' A' ' 88' ' ' GLN . . . -41.65 -75.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.603 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.55 ' NE2' ' N ' ' A' ' 88' ' ' GLN . 0.3 OUTLIER -111.64 -179.58 3.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.462 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.5 mt -89.23 157.52 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.601 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -133.5 161.1 35.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.687 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -142.75 103.95 4.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.553 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.0 t -89.06 123.11 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.433 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.24 117.04 30.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.745 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 14.9 m0 -100.25 132.48 45.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.008 0.433 . . . . 0.0 110.081 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.581 ' CE2' ' SG ' ' A' ' 161' ' ' CYS . 58.4 m-85 -125.41 102.87 7.61 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.51 129.18 63.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.573 -178.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 1.4 p -83.79 -27.87 28.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.247 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.5 ' CZ2' ' O ' ' A' ' 28' ' ' ARG . 19.3 m95 -113.05 139.2 48.89 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.361 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.565 ' HG ' ' N ' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -52.85 163.0 0.88 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.635 179.853 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.565 ' N ' ' HG ' ' A' ' 99' ' ' SER . 56.6 Cg_endo -72.62 167.34 27.39 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.651 2.234 . . . . 0.0 112.234 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.549 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 17.9 p -107.13 -142.29 0.38 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.338 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.549 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -44.2 100.18 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.485 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.496 ' O ' ' SD ' ' A' ' 142' ' ' MET . 16.7 t -40.85 -25.45 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.508 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.451 ' N ' ' O ' ' A' ' 102' ' ' PHE . 24.7 t90 -86.04 -28.25 24.26 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.598 -179.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -81.47 -61.88 2.03 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . 0.492 ' SG ' ' OE2' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -69.74 -68.98 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 0.0 110.928 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.31 -53.4 44.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.692 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -42.28 -56.57 3.98 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -46.82 -48.9 20.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.863 0.363 . . . . 0.0 110.115 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.25 -52.88 54.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.432 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.501 ' NH2' ' OE1' ' A' ' 115' ' ' GLN . 65.8 ttt-85 -42.01 -58.9 1.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.471 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.15 -55.35 8.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.291 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.512 ' O ' ' N ' ' A' ' 117' ' ' ASN . 17.1 t80 -51.96 -47.02 65.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.459 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 117' ' ' ASN . 2.4 mt -59.33 -58.46 8.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.492 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.501 ' OE1' ' NH2' ' A' ' 111' ' ' ARG . 21.6 mt-30 -48.97 -20.45 0.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.194 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 114' ' ' LEU . 3.1 mt-10 -109.92 -9.04 14.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.655 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 113' ' ' PHE . 70.3 m-80 -134.11 37.44 3.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.753 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.2 p -48.14 -19.33 0.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -81.71 17.11 1.55 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.872 0.368 . . . . 0.0 110.657 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 28.4 t -131.32 124.45 55.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.396 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -91.65 120.06 32.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.557 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.72 133.44 50.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.799 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -124.19 122.59 38.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.129 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.8 mp -105.2 130.83 55.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.78 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -124.93 99.4 6.12 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.472 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -76.96 101.74 6.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.438 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -73.23 -38.01 66.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.479 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.573 HH12 HD21 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -141.76 138.82 32.57 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.906 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -104.22 121.23 55.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.535 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.401 ' CD1' ' CZ3' ' A' ' 98' ' ' TRP . 91.5 t80 -104.66 153.8 20.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.416 179.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -86.97 79.14 8.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.611 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -91.07 -61.06 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.535 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.506 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -159.01 160.22 29.12 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.383 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -69.97 19.51 0.19 Allowed 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.525 2.15 . . . . 0.0 112.047 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.506 ' H ' ' C ' ' A' ' 133' ' ' ASP . 2.3 mm? -91.95 -23.96 19.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.499 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -46.13 -32.17 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.541 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 50.3 tttt -66.13 -58.76 4.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.503 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -51.48 -28.8 14.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.43 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.5 -56.68 11.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.4 mt -51.12 -32.29 22.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.457 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -79.7 -43.23 23.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.611 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.496 ' SD ' ' O ' ' A' ' 103' ' ' SER . 0.5 OUTLIER -55.29 -52.13 64.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.63 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 4.8 mt -64.87 -47.65 77.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.549 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 14.7 ttp85 -48.77 -33.6 10.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.566 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -82.84 -23.26 33.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.581 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -76.58 -16.81 59.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.549 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 102.37 -8.61 55.34 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -69.8 156.41 39.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 110.456 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -96.44 135.58 38.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.506 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.22 116.68 29.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.623 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.6 m -153.13 162.03 41.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.558 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 10.0 mt -82.09 128.38 38.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.475 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.587 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 2.9 ttm -49.07 123.97 8.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 72.3 p -95.22 176.28 6.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.631 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -61.49 -48.39 81.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.654 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.1 -54.49 42.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.503 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -56.41 -36.61 69.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.496 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.587 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.4 OUTLIER -59.5 -44.72 93.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.563 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 34.7 tttm -58.89 -43.27 90.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.773 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . 0.599 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.25 -56.09 8.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.562 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.599 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 0.0 OUTLIER -58.85 -23.72 61.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.553 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' TRP . . . . . 0.635 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 4.4 t-105 -68.86 -70.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.945 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . 0.635 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -63.7 -29.12 70.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.267 -179.372 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 97.6 m -66.63 -25.25 66.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.07 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -121.26 18.96 11.49 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.071 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.566 ' C ' ' H ' ' A' ' 168' ' ' HIS . 71.3 t -135.08 146.29 30.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.806 0.336 . . . . 0.0 111.324 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . 0.431 ' O ' ' OD1' ' A' ' 167' ' ' ASP . 4.1 p30 -75.16 37.52 0.12 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.726 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -36.17 -57.14 0.73 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.162 -179.606 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . 0.631 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 26.0 mt-30 40.75 17.8 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.083 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . 0.726 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 142.85 -0.79 1.43 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . 0.621 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 1.2 m -115.01 87.06 14.57 Favored Pre-proline 0 CA--C 1.531 0.231 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -80.37 160.22 22.8 Favored 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 122.29 1.993 . . . . 0.0 112.797 -178.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . 0.48 ' O ' ' NE2' ' A' ' 174' ' ' GLN . 37.0 t80 -53.51 141.34 25.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.6 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' A' ' 173' ' ' PHE . 0.4 OUTLIER -124.1 86.68 53.93 Favored Pre-proline 0 CA--C 1.535 0.391 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.422 -179.807 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -51.4 131.4 36.34 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.238 1.958 . . . . 0.0 112.083 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 14.7 p90 -101.25 157.97 16.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.59 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.82 91.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.585 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 165.58 -33.97 0.24 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.38 -47.55 69.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.756 0.312 . . . . 0.0 110.349 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -53.33 -61.99 1.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.51 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -50.6 -50.18 54.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.557 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -53.27 -48.02 68.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.542 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 6.4 p -48.0 -47.78 33.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.448 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -61.84 -32.67 73.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.524 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -69.13 -59.4 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.582 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.17 -55.06 32.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 96.4 p -44.61 -51.89 8.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.506 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -53.36 -44.45 65.87 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.856 -0.897 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -49.96 -57.65 7.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.739 0.304 . . . . 0.0 110.598 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.444 ' C ' ' N ' ' A' ' 192' ' ' ALA . 1.0 OUTLIER -61.88 -56.57 17.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.611 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -45.98 -18.82 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.615 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 192' ' ' ALA . . . . . 0.444 ' N ' ' C ' ' A' ' 190' ' ' LEU . . . -93.18 -55.5 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.809 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 5.7 tt -59.08 -26.6 33.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.581 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 2.3 tp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.546 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.9 0.381 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -100.48 173.98 6.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.276 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -80.24 167.13 20.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.267 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -71.48 142.31 86.4 Favored Pre-proline 0 CA--C 1.538 0.485 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.813 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -40.78 -44.71 4.78 Favored 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 122.23 1.953 . . . . 0.0 112.383 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -69.34 -45.57 69.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.301 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.456 ' C ' ' HG ' ' A' ' 20' ' ' SER . 2.2 mm -48.83 -37.78 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.939 -179.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -74.97 -61.03 2.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.884 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.43 ' H ' ' HG1' ' A' ' 19' ' ' THR . 0.2 OUTLIER -53.38 -24.31 11.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.638 -179.783 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.456 ' HG ' ' C ' ' A' ' 17' ' ' ILE . 83.3 p -73.69 -50.69 19.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.547 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.62 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 1.3 t-20 -65.17 -42.95 93.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.523 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -96.2 35.11 1.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.61 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.42 ' O ' ' O ' ' A' ' 24' ' ' ASN . 52.2 t30 -72.44 0.67 9.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.624 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.625 HD21 ' NH1' ' A' ' 128' ' ' ARG . 3.1 m120 58.72 118.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.627 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.9 99.87 0.51 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 pp -142.42 -174.95 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.673 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -161.27 43.55 0.4 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.66 153.56 51.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.728 0.299 . . . . 0.0 110.518 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.599 ' CD2' ' H ' ' A' ' 29' ' ' HIS . 0.0 OUTLIER -90.62 97.23 11.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.609 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.7 tptm -170.6 44.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.403 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.6 p -46.92 162.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.046 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.62 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.4 OUTLIER -125.14 143.34 50.98 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.661 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.401 ' C ' ' CD2' ' A' ' 33' ' ' LEU . 3.4 tt -135.58 114.66 12.25 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.502 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.95 120.02 40.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.322 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.466 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 42.1 p90 -108.69 138.23 45.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.949 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -132.05 129.23 39.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.18 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.2 t -96.74 130.11 45.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.953 0.406 . . . . 0.0 111.336 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.427 ' OE1' ' OG1' ' A' ' 93' ' ' THR . 2.3 mt-10 -130.52 125.1 33.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.011 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -95.66 138.4 33.38 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.645 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.47 135.5 57.45 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.326 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -148.9 98.72 2.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.533 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 55.36 42.38 30.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.488 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.87 0.13 67.98 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.4 m -109.54 127.26 54.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.811 0.339 . . . . 0.0 110.563 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.5 p -89.13 109.37 20.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.504 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 67.7 t -97.56 126.48 50.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.539 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -87.04 137.94 31.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.727 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 44.6 mtm -98.14 151.77 20.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.505 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -84.98 -50.34 7.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.704 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.458 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -89.09 66.96 7.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.399 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -172.16 -6.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.437 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -106.87 170.95 7.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.679 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.466 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . 179.45 -162.5 29.26 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -156.09 161.09 40.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.728 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mt -141.48 178.51 7.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.466 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.94 139.23 43.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.479 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.4 t30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.654 -179.893 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.628 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.76 0.314 . . . . 0.0 110.49 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.73 -47.08 3.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.554 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.437 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 27.6 mp0 -58.16 -43.28 87.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.71 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 76' ' ' LEU . 8.5 mp -64.2 -59.87 3.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.963 0.411 . . . . 0.0 110.538 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -44.7 -28.47 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.458 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -80.74 -35.89 32.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.65 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' LEU . 1.1 mm? -59.5 -22.27 61.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.138 0.494 . . . . 0.0 109.731 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.45 -16.03 60.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.204 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -94.12 -4.49 49.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.426 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.532 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -59.74 -43.42 95.16 Favored Pre-proline 0 C--N 1.326 -0.422 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.284 -179.156 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 39.7 Cg_exo -57.02 -22.65 47.99 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.124 1.883 . . . . 0.0 111.848 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.07 -8.93 59.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.551 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.425 ' CD1' ' N ' ' A' ' 82' ' ' LEU . 7.4 mp -103.32 -40.26 6.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.372 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 61.96 52.57 3.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.956 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 52.2 mt -70.44 101.82 2.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.22 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.516 ' O ' ' CE1' ' A' ' 119' ' ' HIS . 0.1 OUTLIER -87.57 161.26 45.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.603 -179.726 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -72.24 -20.69 24.32 Favored 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.658 2.239 . . . . 0.0 111.955 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.487 ' C ' HE21 ' A' ' 88' ' ' GLN . . . -40.94 -75.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.499 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.487 HE21 ' C ' ' A' ' 87' ' ' ALA . 20.1 mm-40 -99.41 175.12 5.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.318 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.473 ' C ' ' CD1' ' A' ' 90' ' ' TYR . 1.1 mt -100.92 155.15 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.907 0.384 . . . . 0.0 110.549 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 89' ' ' ILE . 71.0 m-85 -149.0 130.7 15.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.827 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.15 113.34 26.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.222 179.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.4 p -95.0 129.88 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.139 0.495 . . . . 0.0 110.146 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.427 ' OG1' ' OE1' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -100.84 119.61 38.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.966 -179.296 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -99.95 131.48 45.89 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.589 ' CZ ' ' SG ' ' A' ' 161' ' ' CYS . 52.8 m-85 -124.47 102.91 7.88 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.74 134.19 52.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.748 -178.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 0.3 OUTLIER -85.59 -22.91 27.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.751 178.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 20.3 m95 -113.22 148.41 35.54 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.3 OUTLIER -67.48 165.81 26.67 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.469 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' A' ' 99' ' ' SER . 75.6 Cg_exo -42.44 170.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.528 0 C-N-CA 122.476 2.117 . . . . 0.0 112.186 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -116.78 -48.43 2.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.116 179.761 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.585 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.3 OUTLIER -157.61 111.87 2.62 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 178.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.477 ' OG ' ' CB ' ' A' ' 142' ' ' MET . 10.0 t -39.65 -38.73 0.65 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.229 -179.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -84.9 -21.71 29.58 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.323 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.38 -63.0 1.59 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 91.8 m -78.57 -69.09 0.58 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.702 0.287 . . . . 0.0 111.045 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.36 -30.36 62.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.721 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.96 -60.24 7.52 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -52.69 -38.26 60.3 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.113 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.8 t -67.6 -46.15 83.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.206 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -51.09 -58.53 5.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.276 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.67 -51.37 21.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.472 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.529 ' O ' ' N ' ' A' ' 117' ' ' ASN . 5.1 t80 -50.19 -61.1 2.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.653 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.2 mt -50.71 -58.36 6.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.556 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -46.73 -22.78 0.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.463 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -110.31 -12.2 14.46 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 113' ' ' PHE . 32.0 m120 -139.59 44.77 1.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.329 . . . . 0.0 111.072 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.413 ' C ' ' H ' ' A' ' 120' ' ' VAL . 0.0 OUTLIER -55.62 -4.28 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.992 -179.833 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.527 ' H ' ' C ' ' A' ' 117' ' ' ASN . 5.9 p80 -77.15 14.43 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 0.0 110.797 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.44 ' CG1' ' CE1' ' A' ' 119' ' ' HIS . 21.8 m -140.54 155.26 22.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.56 148.41 25.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.429 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.37 112.29 16.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.42 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -116.21 118.52 33.02 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.465 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 25.4 mt -106.52 136.22 42.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.252 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -128.64 100.6 5.8 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.572 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -79.05 108.07 12.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.333 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -81.0 -47.21 13.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.625 ' NH1' HD21 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -130.69 153.39 49.02 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.854 -0.339 . . . . 0.0 110.668 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 10.9 mt -120.44 109.09 24.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.53 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.427 ' O ' ' O ' ' A' ' 131' ' ' ASP . 32.9 m-85 -152.49 26.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.576 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 130' ' ' TYR . 11.5 t70 -51.58 -173.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.613 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -93.92 -65.8 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.656 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.501 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.2 OUTLIER -98.5 160.2 28.64 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.517 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -70.56 27.73 0.2 Allowed 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 122.569 2.179 . . . . 0.0 112.282 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.501 ' H ' ' C ' ' A' ' 133' ' ' ASP . 0.7 OUTLIER -67.39 -14.82 63.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.576 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -54.46 -26.69 32.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.555 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -69.2 -62.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.584 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -50.92 -38.64 51.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.512 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.91 -39.71 92.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.571 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.18 -53.21 60.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.522 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -65.66 -50.68 64.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.609 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.477 ' CB ' ' OG ' ' A' ' 103' ' ' SER . 1.0 OUTLIER -50.1 -61.83 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.609 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 146' ' ' ALA . 3.5 tp -50.19 -55.71 14.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.534 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -45.84 -33.12 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.645 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.52 -21.38 32.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.565 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -78.09 -19.75 53.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.541 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 87.42 72.07 1.29 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -146.46 173.0 12.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 110.581 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . 0.648 HE22 ' HG ' ' A' ' 151' ' ' SER . 0.0 OUTLIER -102.27 124.19 47.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.548 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.463 ' O ' ' CG1' ' A' ' 150' ' ' VAL . 12.1 p -132.09 111.71 18.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.47 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.648 ' HG ' HE22 ' A' ' 149' ' ' GLN . 57.1 m -146.28 162.31 38.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.679 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 3.2 mm -84.31 129.93 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.491 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -41.22 133.26 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.647 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 21.0 p -106.46 174.91 5.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.552 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -65.34 -57.3 8.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.586 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.36 -38.25 18.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -69.32 -42.66 75.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -51.65 -40.4 59.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.762 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -67.93 -56.41 9.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.771 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . 0.419 ' O ' ' OD1' ' A' ' 163' ' ' ASP . 0.1 OUTLIER -53.84 -46.46 71.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.671 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.589 ' SG ' ' CZ ' ' A' ' 95' ' ' PHE . 1.3 m -68.7 -44.59 73.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.795 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' TRP . . . . . 0.642 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 3.1 t-105 -43.85 -69.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.801 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . 0.642 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.2 OUTLIER -60.72 -54.6 43.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.26 -179.333 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 93.7 m -46.29 -22.38 0.24 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.479 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -121.51 19.63 11.22 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.562 ' C ' ' H ' ' A' ' 168' ' ' HIS . 49.4 t -141.6 152.31 19.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.045 0.45 . . . . 0.0 111.621 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . 0.403 ' N ' ' CG1' ' A' ' 166' ' ' VAL . 8.7 m-20 -74.52 36.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.617 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.588 ' CD2' ' H ' ' A' ' 169' ' ' GLN . 9.1 p-80 -38.6 -46.94 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.297 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . 0.588 ' H ' ' CD2' ' A' ' 168' ' ' HIS . 46.7 mt-30 38.25 24.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.327 -0.852 . . . . 0.0 110.612 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 168' ' ' HIS . . . 129.68 2.9 5.19 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 168' ' ' HIS . 0.1 OUTLIER -102.69 105.08 42.67 Favored Pre-proline 0 CA--C 1.537 0.443 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -78.97 153.24 25.2 Favored 'Trans proline' 0 N--CA 1.487 1.133 0 C-N-CA 121.684 1.589 . . . . 0.0 112.106 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -51.54 147.06 6.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.526 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -113.17 88.87 13.11 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.794 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -78.67 131.07 10.1 Favored 'Trans proline' 0 C--N 1.315 -1.226 0 C-N-CA 122.088 1.859 . . . . 0.0 112.03 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 8.0 p90 -78.78 -179.51 6.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.385 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -96.26 86.23 4.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 160.65 38.26 0.02 OUTLIER Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 2.9 mp -76.68 -50.12 14.45 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.905 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 27.3 p-10 -59.7 -23.28 63.01 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.158 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -73.96 -61.99 1.66 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.16 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 182' ' ' HIS . . . . . 0.614 ' ND1' ' N ' ' A' ' 183' ' ' SER . 1.5 p80 -69.92 -42.29 73.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.919 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 183' ' ' SER . . . . . 0.614 ' N ' ' ND1' ' A' ' 182' ' ' HIS . 59.8 p -57.48 -52.31 65.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.561 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . 0.474 ' N ' ' HG ' ' A' ' 183' ' ' SER . 3.4 tt0 -59.2 -35.77 74.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.562 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -53.37 -56.8 13.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 18.0 mt -67.15 -52.49 40.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.568 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.17 -33.18 18.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.523 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -67.32 -53.8 23.54 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.66 -52.21 11.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 110.584 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 192' ' ' ALA . 1.1 mp -61.72 -59.99 4.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.499 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 30.1 ttt85 -45.51 -16.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.639 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 192' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 190' ' ' LEU . . . -88.2 -43.43 11.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.759 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 4.3 tt -75.14 -26.57 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.669 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.703 -179.772 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.916 0.388 . . . . 0.0 110.463 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.517 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 6.0 mp -94.71 173.03 7.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.022 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 31.2 mtm -64.09 137.24 57.88 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.45 147.12 77.67 Favored Pre-proline 0 C--N 1.327 -0.386 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.44 -179.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.43 ' O ' ' OG1' ' A' ' 19' ' ' THR . 71.7 Cg_exo -39.94 -44.85 3.75 Favored 'Trans proline' 0 N--CA 1.489 1.23 0 C-N-CA 122.244 1.963 . . . . 0.0 112.096 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -72.44 -50.14 28.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.098 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.9 mm -48.69 -40.73 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.592 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 28.5 t80 -66.6 -57.07 7.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.425 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -51.71 -59.21 4.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.496 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t -54.1 -26.96 30.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.48 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.523 ' OD1' ' CD1' ' A' ' 32' ' ' TYR . 8.4 t30 -86.43 -9.66 55.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.54 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.521 ' O ' ' NH2' ' A' ' 128' ' ' ARG . 19.1 m-85 -133.43 18.74 3.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.507 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.527 ' H ' HD21 ' A' ' 23' ' ' ASN . 0.2 OUTLIER -66.3 119.25 11.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.504 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -58.8 157.1 10.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.57 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.4 92.93 0.02 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 pt -135.09 -170.23 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.753 0.311 . . . . 0.0 110.583 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.61 -23.2 0.02 OUTLIER Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -170.07 120.06 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.322 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.518 ' CG ' ' N ' ' A' ' 30' ' ' LYS . 16.7 t60 -157.61 -88.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.565 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.518 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 7.9 mtpt 179.81 121.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.44 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.5 p -58.0 120.92 9.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.777 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.523 ' CD1' ' OD1' ' A' ' 21' ' ' ASN . 1.0 OUTLIER -106.46 141.54 37.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.516 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 tt -136.26 123.16 21.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.69 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.18 110.35 20.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.056 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.625 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 11.0 p90 -101.39 142.59 32.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -129.17 160.72 32.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.892 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.5 t -132.36 127.26 56.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.373 . . . . 0.0 110.851 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -140.13 152.44 46.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.332 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.63 ' HE ' ' HH ' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -99.91 139.45 35.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.61 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.55 122.4 44.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.573 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.32 114.63 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.47 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.515 ' C ' ' H ' ' A' ' 44' ' ' THR . 3.2 t-20 58.25 39.66 25.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.493 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.73 -24.97 1.18 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.515 ' H ' ' C ' ' A' ' 42' ' ' ASN . 57.5 m -71.62 120.25 16.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 110.63 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.74 119.84 37.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.577 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.5 t -100.04 99.17 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.571 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.8 tttm -72.22 137.59 46.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.575 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -96.08 149.61 21.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.634 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.02 -50.24 4.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.49 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -98.82 73.07 1.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.346 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -172.1 -1.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.451 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -103.05 170.94 7.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.41 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -175.01 172.94 45.94 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -141.93 136.9 30.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.812 0.339 . . . . 0.0 110.616 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mp -137.12 177.83 7.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.568 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.503 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 1.3 p80 -138.61 166.0 25.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.326 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.625 179.927 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 t60 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.81 0.338 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.89 -50.45 56.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.44 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -42.39 -46.28 4.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.652 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.94 -60.13 3.4 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.463 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -49.37 -24.77 2.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.08 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.625 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 2.2 t80 -84.42 -46.48 11.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.432 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -43.1 -36.92 1.81 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.432 -179.806 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.02 -16.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.101 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' A' ' 76' ' ' LEU . 2.4 mm? -66.97 -47.52 71.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.323 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.0 t -44.42 -58.73 4.7 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-O 119.316 -0.373 . . . . 0.0 111.936 -178.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -35.25 -39.78 0.25 Allowed 'Trans proline' 0 N--CA 1.489 1.232 0 C-N-CA 122.112 1.875 . . . . 0.0 112.502 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.7 t -76.34 -50.09 15.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.5 mt -65.33 -56.51 12.23 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.368 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 58.78 52.44 6.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.002 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.3 mt -50.37 145.73 6.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.289 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.57 160.14 27.2 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.605 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -70.41 -9.8 26.66 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.617 2.211 . . . . 0.0 112.024 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.61 -80.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.6 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.505 ' N ' HE21 ' A' ' 88' ' ' GLN . 0.0 OUTLIER -100.89 164.55 11.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.552 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -84.92 162.37 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.538 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.63 ' HH ' ' HE ' ' A' ' 39' ' ' ARG . 34.8 m-85 -139.64 167.26 22.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.493 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -138.55 110.6 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.524 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.0 t -95.12 123.58 47.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.234 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.64 114.13 28.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 -179.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 23.1 m0 -100.4 133.28 45.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.243 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.59 ' CD1' ' SG ' ' A' ' 161' ' ' CYS . 48.4 m-85 -129.17 103.38 6.93 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.26 146.9 15.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.914 -178.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.477 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 22.2 p -96.89 -28.78 14.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.714 179.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -111.74 143.75 42.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.381 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.72 159.6 67.55 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.438 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.5 150.54 46.17 Favored 'Trans proline' 0 N--CA 1.494 1.554 0 C-N-CA 122.597 2.198 . . . . 0.0 112.406 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.647 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 1.8 p -83.58 -150.38 0.1 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.647 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.2 OUTLIER -34.16 104.92 0.03 OUTLIER 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.167 0.508 . . . . 0.0 110.138 179.381 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.5 p -37.54 -23.89 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.194 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.547 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.2 OUTLIER -80.51 -31.89 37.05 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.853 -179.014 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -71.25 -63.81 2.98 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.773 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.22 -69.39 0.58 Allowed 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.165 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.61 -43.11 12.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.795 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.88 -55.63 28.68 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -50.05 -42.23 49.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.807 0.337 . . . . 0.0 110.799 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 42.7 t -69.65 -52.78 28.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.801 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -41.66 -58.57 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.602 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.16 -52.99 59.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.58 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -46.14 -39.74 9.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.507 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.471 ' C ' ' N ' ' A' ' 116' ' ' GLU . 1.0 OUTLIER -72.15 -57.1 4.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.437 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -46.87 -15.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.624 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.471 ' N ' ' C ' ' A' ' 114' ' ' LEU . 0.3 OUTLIER -108.68 -45.73 3.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.963 -179.841 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.51 ' C ' ' H ' ' A' ' 119' ' ' HIS . 6.4 m120 -115.02 49.28 1.06 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.74 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.6 t -60.5 -0.22 0.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.82 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.51 ' H ' ' C ' ' A' ' 117' ' ' ASN . 8.9 p80 -79.62 13.62 1.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.846 0.355 . . . . 0.0 110.527 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 34.8 m -134.92 145.88 31.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.542 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -91.51 148.32 22.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.32 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.76 112.4 12.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.501 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -115.07 117.74 31.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.199 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 5.7 mt -105.77 127.71 60.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.044 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.491 ' CD2' ' CE1' ' A' ' 95' ' ' PHE . 75.2 m-85 -119.9 98.06 5.91 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.528 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -78.93 106.2 10.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.332 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -77.48 -40.84 41.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.556 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.521 ' NH2' ' O ' ' A' ' 22' ' ' PHE . 4.1 tpp180 -136.43 143.05 43.7 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.562 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.518 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 1.1 mt -102.95 118.95 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.609 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 13.3 m-85 -162.38 117.64 1.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 29.6 p30 -151.25 -163.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.437 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -92.28 -63.11 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.585 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.517 ' C ' ' H ' ' A' ' 135' ' ' LEU . 1.1 m-20 -108.5 157.74 35.75 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.318 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -69.87 29.32 0.18 Allowed 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.395 2.063 . . . . 0.0 112.152 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.517 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.9 mt -66.49 -14.68 62.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.778 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 136' ' ' TYR . 2.2 p90 -48.76 -30.05 5.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.6 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 14.2 ttpp -62.45 -58.3 8.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.486 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -49.36 -36.29 21.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.499 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.29 -51.76 67.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.549 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -50.76 -40.11 54.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.456 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -60.15 -60.47 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.66 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -53.25 -52.48 58.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.601 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -42.23 -58.13 2.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.394 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.7 ttm105 -52.33 -36.53 53.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.539 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.51 -11.77 61.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.569 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -93.08 -23.88 18.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.531 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 87.5 31.79 15.23 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -101.04 175.92 5.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.542 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -104.22 128.14 51.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.547 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 3.2 m -132.2 114.59 24.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.518 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 7.3 m -152.22 162.02 41.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.619 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 2.3 mt -84.48 130.03 36.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.507 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.586 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 8.6 ttt -45.88 123.57 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.535 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 12.6 p -102.26 176.28 5.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.69 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -59.16 -58.18 9.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.586 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.89 -57.56 2.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.5 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . 0.448 ' OE2' ' CE1' ' A' ' 125' ' ' PHE . 22.2 mt-10 -51.23 -56.61 12.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.713 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.586 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 1.1 m-85 -41.55 -43.5 2.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.69 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . 0.431 ' O ' ' OD2' ' A' ' 163' ' ' ASP . 9.1 ttpp -59.98 -46.23 90.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.582 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . 0.618 ' CD2' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -68.88 -57.53 5.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.525 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.618 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 1.5 m -55.26 -23.96 25.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' TRP . . . . . 0.621 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 4.5 t-105 -70.41 -70.02 0.32 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.719 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . 0.621 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.5 OUTLIER -60.91 -14.41 22.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.262 -179.612 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 41.2 m -86.81 -28.3 23.02 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.368 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -119.56 16.83 12.89 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.304 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.496 ' C ' ' H ' ' A' ' 168' ' ' HIS . 96.8 t -130.89 142.67 43.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.807 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 167' ' ' ASP . 7.6 p-10 -79.16 36.98 0.3 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.593 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -49.92 -10.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.579 -179.722 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . 0.514 ' H ' ' C ' ' A' ' 167' ' ' ASP . 7.9 mm-40 52.73 7.97 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.444 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . 0.593 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 121.35 32.1 1.09 Allowed Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . 0.566 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.0 OUTLIER -111.31 148.87 39.66 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 116.703 0.251 . . . . 0.0 110.365 179.714 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -77.35 172.44 15.96 Favored 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 122.363 2.042 . . . . 0.0 112.551 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -84.87 150.52 24.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.431 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -108.91 96.01 19.04 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.689 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -80.41 148.98 18.85 Favored 'Trans proline' 0 N--CA 1.488 1.197 0 C-N-CA 122.101 1.867 . . . . 0.0 112.204 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 16.1 p90 -82.08 155.1 25.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.56 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.43 101.69 4.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.6 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 143.11 -8.76 2.2 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 1.1 tt -41.77 -45.15 3.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.778 0.323 . . . . 0.0 110.542 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.58 -60.75 2.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.563 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 184' ' ' GLN . 67.1 mt-10 -56.76 -61.41 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.62 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -42.34 -49.45 5.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 9.5 t -56.33 -37.62 70.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.575 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 181' ' ' GLU . 0.0 OUTLIER -64.03 -32.19 73.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.61 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -73.97 -57.71 3.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.619 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' A' ' 186' ' ' LEU . 4.0 mm? -61.46 -52.22 65.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.393 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 30.7 t -51.27 -46.91 62.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.313 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -56.81 -35.34 67.57 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -59.78 -53.13 61.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.809 0.338 . . . . 0.0 110.396 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.0 tp -72.09 -22.93 61.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.652 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -76.35 -23.76 54.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.516 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -82.1 -48.04 11.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.611 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 2.5 tt -68.55 -28.04 38.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.683 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.9 tp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.608 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.612 ' CD2' ' N ' ' A' ' 11' ' ' HIS . 3.0 m170 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.516 0.674 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.617 ' CD2' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -113.34 175.06 5.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.708 -1.133 . . . . 0.0 109.835 -178.835 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.591 ' SD ' ' CE2' ' A' ' 54' ' ' PHE . 2.7 mpp? -60.48 167.52 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.37 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.44 153.15 50.57 Favored Pre-proline 0 CA--C 1.534 0.346 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.933 -179.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.423 ' O ' ' OG1' ' A' ' 19' ' ' THR . 72.1 Cg_exo -41.07 -56.01 1.87 Allowed 'Trans proline' 0 N--CA 1.49 1.322 0 C-N-CA 122.541 2.161 . . . . 0.0 112.507 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.512 ' CE1' ' OG ' ' A' ' 20' ' ' SER . 33.7 t60 -59.97 -51.62 68.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.975 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.2 mm -48.77 -37.49 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.63 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -74.87 -60.83 2.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.785 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.2 OUTLIER -50.31 -60.0 3.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.596 -179.906 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.512 ' OG ' ' CE1' ' A' ' 16' ' ' HIS . 6.7 m -51.9 -43.05 63.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.579 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.619 HD22 ' CB ' ' A' ' 32' ' ' TYR . 11.3 t30 -62.52 -39.91 95.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.685 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -100.08 23.58 9.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.615 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -56.77 101.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.553 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.86 150.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.546 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.63 99.54 0.01 OUTLIER Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.443 ' CD1' ' HE1' ' A' ' 98' ' ' TRP . 4.4 pt -136.55 -173.14 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.717 0.294 . . . . 0.0 110.62 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -151.27 -43.03 0.02 OUTLIER Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -172.05 127.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 110.437 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -163.55 -72.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.49 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.69 90.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.305 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.465 ' CG2' ' ND2' ' A' ' 57' ' ' ASN . 3.5 t -46.66 150.93 0.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.949 0.404 . . . . 0.0 111.303 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.619 ' CB ' HD22 ' A' ' 21' ' ' ASN . 0.2 OUTLIER -114.79 147.34 39.92 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.472 179.808 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.9 tp -135.4 107.57 7.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.161 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.37 115.71 31.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.348 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.518 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 34.9 p90 -106.36 137.04 45.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -123.92 129.42 50.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.22 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.418 ' CB ' ' ND1' ' A' ' 51' ' ' HIS . 11.5 t -100.07 126.01 53.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.965 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.11 154.21 45.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.279 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -121.45 142.0 50.46 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.528 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.516 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 3.8 mm? -78.89 143.71 35.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.549 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.85 101.1 2.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.486 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.7 t30 57.62 30.13 18.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.403 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.69 0.48 81.66 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.54 121.52 42.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.78 0.324 . . . . 0.0 110.623 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.426 ' O ' ' OG ' ' A' ' 45' ' ' SER . 1.2 p -89.3 110.69 21.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.55 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.4 p -101.83 134.07 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.586 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -94.75 140.71 29.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.622 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.5 mtm -103.14 143.44 32.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.45 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -84.38 -50.62 7.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.758 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.82 66.07 9.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.011 0.434 . . . . 0.0 110.234 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.418 ' ND1' ' CB ' ' A' ' 37' ' ' VAL . 17.8 t-80 -173.15 -8.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.405 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.7 ptt85 -100.93 170.79 8.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.502 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.413 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . -176.65 -179.65 47.18 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.591 ' CE2' ' SD ' ' A' ' 13' ' ' MET . 3.8 p90 -146.74 141.93 27.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.751 0.31 . . . . 0.0 110.55 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 mt -128.87 174.95 9.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.607 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.469 ' N ' ' ND1' ' A' ' 56' ' ' HIS . 1.4 p-80 -137.15 157.8 45.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.432 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.649 HD22 ' CD2' ' A' ' 70' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.773 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.649 ' CD2' HD22 ' A' ' 57' ' ' ASN . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.845 0.355 . . . . 0.0 110.538 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.566 ' H ' ' ND2' ' A' ' 57' ' ' ASN . . . -52.0 -29.18 19.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.483 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -51.38 -50.83 58.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.646 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.38 -46.26 89.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.712 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.4 mmt-85 -59.09 -27.45 65.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.584 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.518 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 29.3 t80 -78.31 -47.47 17.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.532 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 tp -68.27 -19.69 64.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.722 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.13 -25.11 67.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.503 -179.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.435 ' C ' ' CD1' ' A' ' 78' ' ' LEU . 3.4 pp -114.25 3.41 15.11 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.618 0.247 . . . . 0.0 111.16 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.412 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.4 t -56.57 -47.94 98.05 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.357 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 38.0 Cg_endo -72.82 -17.04 26.0 Favored 'Trans proline' 0 N--CA 1.489 1.24 0 C-N-CA 121.434 1.423 . . . . 0.0 111.884 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.9 -14.72 60.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.402 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.425 ' O ' ' CB ' ' A' ' 83' ' ' GLN . 12.6 mt -78.83 -20.88 48.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.442 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.425 ' CB ' ' O ' ' A' ' 82' ' ' LEU . 3.7 tt0 77.55 36.04 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.0 mt -67.06 153.16 44.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.437 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.22 161.6 60.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.55 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -71.39 -12.93 30.24 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.533 2.155 . . . . 0.0 112.302 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.27 -79.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.518 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.56 ' N ' HE21 ' A' ' 88' ' ' GLN . 0.0 OUTLIER -94.0 158.99 15.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.305 179.725 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.4 mm -89.75 156.89 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.559 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -139.07 152.05 47.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.772 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -117.97 102.82 9.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.205 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 41.0 t -94.86 119.34 42.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.521 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.3 m -106.13 121.44 44.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.636 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 32.8 m0 -100.32 132.69 45.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.03 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -119.03 102.69 8.93 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.8 140.1 31.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.81 -178.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.609 ' HG ' ' H ' ' A' ' 32' ' ' TYR . 9.0 p -90.88 -27.4 18.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.926 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.443 ' HE1' ' CD1' ' A' ' 26' ' ' ILE . 8.5 m95 -111.59 153.54 26.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.35 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.84 162.41 74.24 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.258 179.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -68.83 162.99 39.09 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.548 2.165 . . . . 0.0 112.258 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 6.4 p -106.31 -106.98 0.31 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.41 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.45 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -74.09 107.03 6.04 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.366 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 108' ' ' GLY . 13.9 m -43.88 -25.05 0.17 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.885 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -84.64 -22.92 29.73 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.358 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.55 -62.74 1.6 Allowed Glycine 0 CA--C 1.528 0.877 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.9 m -78.36 -69.8 0.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.648 0.261 . . . . 0.0 111.47 -179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.32 -30.82 69.75 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.52 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -64.33 -45.79 92.45 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 179.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -66.66 -22.29 66.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.864 0.364 . . . . 0.0 110.106 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 59.8 t -83.19 -63.33 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.025 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.8 -29.96 30.52 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.39 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -72.21 -58.73 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.981 0.42 . . . . 0.0 110.07 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -45.92 -24.0 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.969 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.433 ' C ' ' N ' ' A' ' 116' ' ' GLU . 5.0 mp -76.77 -57.03 4.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.183 179.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -46.94 -19.99 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.068 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.433 ' N ' ' C ' ' A' ' 114' ' ' LEU . 2.8 mt-10 -104.72 -45.9 4.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.035 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.498 ' C ' ' H ' ' A' ' 119' ' ' HIS . 7.9 m120 -120.76 55.13 1.04 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.761 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.87 1.16 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.805 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.498 ' H ' ' C ' ' A' ' 117' ' ' ASN . 8.2 p80 -80.3 11.14 3.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.613 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.48 ' CG1' ' CE1' ' A' ' 119' ' ' HIS . 17.2 m -131.9 143.08 41.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.562 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -92.61 148.65 21.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.258 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.53 112.53 12.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.637 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 30.6 mtm180 -110.58 125.43 53.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.081 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 35.2 mm -105.29 117.43 50.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.147 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.519 ' CD1' ' OE1' ' A' ' 157' ' ' GLU . 70.5 m-85 -116.78 98.02 6.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.122 179.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -83.18 107.48 15.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.492 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -76.29 -39.37 54.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.405 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -139.89 146.77 39.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.351 179.759 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.518 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 0.9 OUTLIER -104.03 130.44 54.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.907 0.384 . . . . 0.0 110.695 -179.723 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 4.6 m-85 -172.13 122.09 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.461 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -149.96 -173.93 4.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.561 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -106.53 -19.55 13.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.587 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.11 162.34 48.53 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.464 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.502 ' O ' ' N ' ' A' ' 136' ' ' TYR . 41.0 Cg_endo -70.02 -7.12 20.36 Favored 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.625 2.217 . . . . 0.0 112.204 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.2 mt -42.97 -19.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.647 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.525 ' CD1' ' N ' ' A' ' 137' ' ' LYS . 0.0 OUTLIER -54.16 -38.97 66.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.615 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.525 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 30.9 tttp -58.85 -57.73 11.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.436 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -48.34 -32.63 7.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.366 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.52 -52.09 64.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.391 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.5 mp -51.77 -36.7 48.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.403 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.491 ' OE1' ' NH1' ' A' ' 144' ' ' ARG . 49.1 mm-40 -78.59 -36.14 44.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.535 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.482 ' SD ' ' O ' ' A' ' 103' ' ' SER . 0.7 OUTLIER -70.68 -22.69 62.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.573 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 9.2 mt -81.3 -60.81 2.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.767 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.491 ' NH1' ' OE1' ' A' ' 141' ' ' GLN . 0.7 OUTLIER -56.06 -28.06 55.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.693 -179.879 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.78 -37.18 81.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.612 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.76 -19.43 52.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 104.04 13.12 27.96 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -78.49 155.15 29.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.759 0.314 . . . . 0.0 110.611 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -87.45 131.08 34.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.538 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.435 ' C ' ' HG ' ' A' ' 151' ' ' SER . 21.8 t -131.39 116.61 32.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.605 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.435 ' HG ' ' C ' ' A' ' 150' ' ' VAL . 0.8 OUTLIER -153.38 159.75 42.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.57 179.896 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.9 tp -90.38 132.57 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.475 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.542 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 6.4 ttt -49.1 121.24 4.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.52 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 81.3 p -99.98 172.65 7.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -58.21 -43.1 87.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.639 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -47.23 81.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.481 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . 0.519 ' OE1' ' CD1' ' A' ' 125' ' ' PHE . 35.8 mt-10 -63.15 -31.19 72.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.727 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.542 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 1.4 m-85 -65.58 -47.32 76.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.543 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -55.59 -49.77 71.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.575 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . 0.593 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -68.45 -57.39 5.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.611 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.593 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 12.3 t -53.76 -23.69 12.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' TRP . . . . . 0.622 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.2 t-105 -72.9 -69.16 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.042 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . 0.622 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -63.68 -14.28 50.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 -179.466 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 96.9 m -85.68 -24.11 27.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.311 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -121.05 10.83 10.84 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.264 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.582 ' C ' ' H ' ' A' ' 168' ' ' HIS . 89.9 t -129.32 132.61 66.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.98 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -69.63 37.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.946 0.403 . . . . 0.0 110.42 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.582 ' H ' ' C ' ' A' ' 166' ' ' VAL . 5.7 p-80 -44.24 -45.63 8.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.109 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . 0.481 ' N ' ' CG ' ' A' ' 168' ' ' HIS . 97.1 mt-30 40.51 31.7 0.12 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 132.71 14.78 1.46 Allowed Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . 0.433 ' SG ' ' O ' ' A' ' 168' ' ' HIS . 4.6 m -123.78 80.9 55.69 Favored Pre-proline 0 CA--C 1.53 0.175 0 CA-C-O 120.739 0.304 . . . . 0.0 110.46 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -51.32 162.63 1.27 Allowed 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.551 2.167 . . . . 0.0 112.25 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -57.4 150.33 18.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.597 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -113.62 85.08 8.76 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.647 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -78.27 131.22 10.59 Favored 'Trans proline' 0 N--CA 1.488 1.202 0 C-N-CA 122.084 1.856 . . . . 0.0 112.091 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' TRP . . . . . 0.545 ' NE1' ' CD1' ' A' ' 179' ' ' LEU . 15.1 p90 -98.64 159.0 15.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.529 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.68 109.5 2.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.546 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 145.03 -18.18 1.95 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . 0.545 ' CD1' ' NE1' ' A' ' 176' ' ' TRP . 1.8 mp -52.27 -38.12 57.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.783 0.325 . . . . 0.0 110.535 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.09 -46.65 80.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.634 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -64.65 -45.95 84.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.592 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -61.09 -61.04 2.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.608 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 60.0 p -44.81 -37.56 3.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.652 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -61.23 -59.51 5.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.549 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -45.82 -53.11 10.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.549 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.01 -58.89 6.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.516 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 1.6 m -44.57 -44.02 8.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.58 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -55.68 -49.81 63.79 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -50.52 -49.92 54.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.754 0.311 . . . . 0.0 110.541 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.23 -46.66 89.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.583 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 2.6 ttm105 -61.12 -33.01 72.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.66 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -66.84 -37.18 83.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.596 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . 0.501 ' CD1' ' HH ' ' A' ' 136' ' ' TYR . 3.5 mm -66.57 -61.32 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.596 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 8.0 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.635 -179.941 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.509 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 12.5 t-160 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.809 0.338 . . . . 0.0 110.579 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.583 ' CD2' ' N ' ' A' ' 12' ' ' LEU . 1.0 OUTLIER -108.76 173.47 6.3 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.136 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -73.92 164.48 26.58 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -76.56 143.96 72.94 Favored Pre-proline 0 CA--C 1.534 0.365 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.418 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -39.96 -55.51 1.72 Allowed 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.205 1.937 . . . . 0.0 112.237 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -49.42 77.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.041 -179.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 mm -48.84 -56.49 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.659 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.408 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 32.3 t80 -49.59 -60.13 3.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.706 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.52 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -57.06 -27.09 61.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.795 -179.83 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.58 -61.49 2.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.597 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.614 ' ND2' ' CD2' ' A' ' 22' ' ' PHE . 3.3 p-10 -70.75 -23.49 62.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.61 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.614 ' CD2' ' ND2' ' A' ' 21' ' ' ASN . 18.3 m-85 -100.44 13.19 35.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.541 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 19' ' ' THR . 44.7 t-20 -61.49 101.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.626 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -43.25 115.47 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.603 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.63 52.75 0.79 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 pp -97.35 -175.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.707 0.289 . . . . 0.0 110.496 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.401 ' H ' ' NE ' ' A' ' 28' ' ' ARG . . . 167.43 53.76 0.03 OUTLIER Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.688 ' H ' ' HE ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -158.33 140.41 14.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.859 0.362 . . . . 0.0 110.644 179.758 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -49.93 98.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.761 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -178.61 22.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.077 0.465 . . . . 0.0 110.406 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -46.63 162.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.784 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -125.93 149.3 48.84 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.686 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.457 ' CD1' ' C ' ' A' ' 33' ' ' LEU . 2.6 tm? -140.34 122.97 16.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.122 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.35 121.08 40.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.828 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.547 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 17.5 p90 -112.92 134.52 54.39 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.038 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -122.15 158.14 30.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.093 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -128.7 121.41 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.652 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.461 ' OE2' ' N ' ' A' ' 38' ' ' GLU . 1.5 mp0 -131.34 127.93 38.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.729 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.36 132.32 35.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.404 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 mt -98.52 119.94 38.09 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.548 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.63 110.48 9.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.457 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.522 ' N ' ' ND2' ' A' ' 42' ' ' ASN . 0.5 OUTLIER 61.23 37.51 17.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.468 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.6 -1.07 68.02 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.15 102.3 14.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 110.523 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.429 ' O ' ' OG ' ' A' ' 45' ' ' SER . 11.9 p -83.13 103.37 12.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.557 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.1 m -96.68 119.18 44.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.516 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -76.83 138.13 39.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.488 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.9 mmt -79.46 158.65 27.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.667 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -93.55 -50.27 5.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.564 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -117.17 78.23 1.2 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.487 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.497 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 52.9 t-80 -169.93 30.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.687 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.509 ' NH2' ' O ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -131.57 170.77 14.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.318 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -169.32 -178.56 40.68 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 20.1 p90 -156.39 140.41 16.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.69 0.281 . . . . 0.0 110.402 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 mp -135.52 178.17 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.565 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.54 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.1 OUTLIER -127.15 156.18 42.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.467 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' A' ' 56' ' ' HIS . 1.1 t30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.6 t60 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.74 0.305 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.22 -34.56 64.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.234 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -60.04 -49.09 79.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.479 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.9 mp -49.59 -50.43 42.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.591 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -53.25 -43.56 67.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.512 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.547 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 10.3 t80 -65.49 -49.53 68.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.624 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.2 tp -64.05 -19.99 65.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.767 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.95 -32.47 59.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.025 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.415 ' C ' ' CD1' ' A' ' 78' ' ' LEU . 3.9 pp -101.44 8.04 42.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.759 0.314 . . . . 0.0 110.811 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.575 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -63.32 -41.64 69.59 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.008 -179.845 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 39.6 Cg_exo -57.66 -17.44 28.77 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.087 1.858 . . . . 0.0 111.932 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.42 -9.08 58.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.619 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.9 mt -89.75 -2.86 58.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.54 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 41.5 45.02 2.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.725 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.3 mt -41.46 155.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.628 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.455 ' C ' ' H ' ' A' ' 87' ' ' ALA . 2.4 m-20 -117.17 84.96 17.91 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.457 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -51.3 -9.38 0.29 Allowed 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.464 2.11 . . . . 0.0 112.189 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.455 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -49.21 -35.46 17.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.375 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -125.04 -167.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.217 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -104.73 155.1 6.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.167 0.508 . . . . 0.0 110.5 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -140.47 179.32 6.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.79 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -143.98 109.65 5.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.498 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -92.44 106.07 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.011 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.36 115.69 26.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.655 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 13.7 m0 -100.19 132.19 45.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.21 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -124.91 102.65 7.64 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -108.05 131.25 58.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.651 -178.33 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.481 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 7.0 p -81.87 -26.04 34.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.767 178.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -111.13 153.51 25.62 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.062 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.09 129.87 77.04 Favored Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.323 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -42.35 153.84 0.13 Allowed 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.899 1.733 . . . . 0.0 112.426 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.646 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 2.7 p -96.66 -147.89 0.3 Allowed 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.646 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.2 OUTLIER -33.38 106.01 0.04 OUTLIER 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.263 0.554 . . . . 0.0 110.215 179.545 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.455 ' OG ' ' CB ' ' A' ' 139' ' ' ALA . 47.9 m -37.48 -23.86 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.237 -179.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.545 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.1 OUTLIER -82.64 -30.94 29.04 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -178.826 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -71.9 -63.77 2.9 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 120.532 -0.842 . . . . 0.0 111.786 -179.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.31 -69.25 0.59 Allowed 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.751 -0.379 . . . . 0.0 111.071 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.88 -41.57 11.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.816 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.19 -60.01 9.05 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -50.91 -39.56 54.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.943 0.402 . . . . 0.0 110.25 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 38.7 t -66.71 -48.19 80.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.36 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 55.1 ttt85 -49.71 -52.63 29.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.359 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.08 -57.84 7.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.486 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -53.17 -34.82 58.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.63 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -69.83 -58.59 3.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.457 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -54.22 -14.18 1.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.598 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -100.25 -50.29 4.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.52 ' C ' ' H ' ' A' ' 119' ' ' HIS . 85.7 m-20 -111.51 43.47 1.51 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.501 ' C ' ' H ' ' A' ' 120' ' ' VAL . 0.0 OUTLIER -49.86 -10.45 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.744 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.529 ' ND1' ' O ' ' A' ' 119' ' ' HIS . 12.0 p80 -76.11 19.66 0.22 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.902 0.382 . . . . 0.0 110.381 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.501 ' H ' ' C ' ' A' ' 118' ' ' THR . 4.9 m -135.75 144.72 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.464 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -91.59 123.32 34.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.447 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.93 115.04 29.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.571 -179.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -117.79 118.36 31.84 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.293 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 18.6 mt -106.2 131.19 56.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.002 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.522 ' CE1' ' OE2' ' A' ' 157' ' ' GLU . 81.5 m-85 -127.03 104.78 8.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.611 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -84.17 107.72 16.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.372 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -77.56 -44.75 27.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.464 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.481 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -132.36 150.09 52.22 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.505 179.79 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.522 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 5.6 mt -112.29 118.73 58.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.694 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.522 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 8.7 m-85 -155.02 117.23 4.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.632 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.427 ' OD2' ' O ' ' A' ' 130' ' ' TYR . 0.3 OUTLIER -178.82 154.83 0.75 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.376 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -97.63 10.18 40.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.568 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.517 ' C ' ' H ' ' A' ' 135' ' ' LEU . 30.6 m-20 -122.79 80.04 49.18 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.552 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.502 ' C ' ' H ' ' A' ' 136' ' ' TYR . 51.8 Cg_exo -49.3 -6.66 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.562 2.175 . . . . 0.0 112.433 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.517 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.9 mt -47.76 -13.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.468 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.502 ' H ' ' C ' ' A' ' 134' ' ' PRO . 0.1 OUTLIER -42.37 -26.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.613 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 135' ' ' LEU . 8.9 tttt -62.05 -62.21 1.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.469 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -53.49 -27.73 26.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.32 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.455 ' CB ' ' OG ' ' A' ' 103' ' ' SER . . . -69.66 -42.79 73.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.419 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.82 -37.09 75.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.316 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -80.03 -56.69 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.557 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.9 ttp -54.36 -29.59 48.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.664 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 53.6 tp -81.9 -42.19 19.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.337 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.4 -30.74 41.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.5 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -76.64 2.72 13.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.572 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -99.57 -22.39 15.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 104.83 -1.18 41.71 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -83.1 134.08 35.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.71 0.291 . . . . 0.0 110.627 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -83.98 140.76 31.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.591 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 59.0 t -131.62 112.71 21.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.558 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.4 t -146.11 162.08 38.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.631 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . 0.414 ' N ' ' CD1' ' A' ' 152' ' ' ILE . 1.6 mp -79.78 133.81 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.498 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.583 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 6.4 ttm -50.36 102.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.52 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 26.2 p -73.72 160.68 31.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.538 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.497 ' CD1' ' O ' ' A' ' 155' ' ' TYR . 1.4 t80 -51.33 -36.93 45.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.578 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.22 -56.21 16.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.503 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . 0.522 ' OE2' ' CE1' ' A' ' 125' ' ' PHE . 2.1 mm-40 -57.15 -26.59 60.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.689 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.583 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 0.5 OUTLIER -64.58 -54.16 36.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.504 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -54.93 -42.62 72.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.687 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . 0.579 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -66.7 -56.61 9.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.687 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.579 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 3.1 t -57.32 -23.72 50.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.64 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' TRP . . . . . 0.619 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.1 t-105 -73.26 -69.23 0.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.832 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . 0.619 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 2.8 t70 -63.04 -14.24 45.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.419 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 60.6 m -84.86 -26.72 27.2 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.167 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -121.74 18.84 11.1 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.706 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.552 ' C ' ' H ' ' A' ' 168' ' ' HIS . 73.0 t -133.77 154.1 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 121.168 0.509 . . . . 0.0 111.549 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . 0.421 ' N ' ' CG1' ' A' ' 166' ' ' VAL . 0.4 OUTLIER -75.25 30.97 0.1 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.727 179.594 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.709 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -38.82 -53.71 1.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.13 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . 0.615 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 4.5 mm-40 42.53 14.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.668 179.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . 0.709 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 141.7 8.4 0.69 Allowed Glycine 0 CA--C 1.529 0.944 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.772 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . 0.622 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 1.7 m -117.5 84.29 18.47 Favored Pre-proline 0 CA--C 1.532 0.256 0 CA-C-N 116.713 0.256 . . . . 0.0 110.321 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -52.0 165.57 0.83 Allowed 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.486 2.124 . . . . 0.0 112.377 -179.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -65.12 141.49 58.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.309 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -115.57 85.1 13.17 Favored Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.966 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -50.11 154.88 5.02 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.189 1.926 . . . . 0.0 111.924 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' TRP . . . . . 0.42 ' O ' ' N ' ' A' ' 178' ' ' GLY . 1.0 OUTLIER -102.07 131.51 48.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.637 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -43.64 96.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.501 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 176' ' ' TRP . . . 140.68 -18.58 2.79 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -42.31 -50.09 5.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.757 0.313 . . . . 0.0 110.528 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 180' ' ' ASP . 3.1 m-20 -47.93 -52.24 20.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.534 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.35 -57.9 10.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.525 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -47.29 -38.92 13.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.408 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 183' ' ' SER . . . . . 0.428 ' O ' ' OG ' ' A' ' 187' ' ' SER . 0.4 OUTLIER -61.92 -43.93 97.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.53 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -61.22 -35.2 76.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.616 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -60.65 -65.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.587 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 27.2 mt -64.35 -59.65 4.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.594 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 187' ' ' SER . . . . . 0.605 ' HG ' ' N ' ' A' ' 188' ' ' GLY . 55.9 p -45.85 -40.51 9.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.375 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . 0.605 ' N ' ' HG ' ' A' ' 187' ' ' SER . . . -67.04 -35.07 88.63 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -48.74 77.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.749 0.309 . . . . 0.0 110.414 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -46.28 80.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.546 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 191' ' ' ARG . . . . . 0.593 HH21 ' HG ' ' A' ' 187' ' ' SER . 61.5 mtm180 -60.56 -16.3 36.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.545 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -96.36 -52.91 3.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.6 tp -54.72 -27.49 18.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.699 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.62 179.961 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.766 0.317 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.59 ' CD2' ' N ' ' A' ' 12' ' ' LEU . 1.0 OUTLIER -107.4 173.33 6.37 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.135 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 64.6 mtm -74.9 162.35 28.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.855 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -75.22 142.93 76.03 Favored Pre-proline 0 CA--C 1.536 0.422 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.391 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.431 ' O ' ' OG1' ' A' ' 19' ' ' THR . 71.1 Cg_exo -40.69 -55.46 1.97 Allowed 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 122.169 1.913 . . . . 0.0 112.205 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -59.98 -51.85 67.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.123 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.421 ' O ' ' OD1' ' A' ' 21' ' ' ASN . 1.8 mm -48.66 -38.47 9.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.654 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -73.48 -60.9 2.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.628 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -46.22 -44.77 16.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.52 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -61.4 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.563 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.617 ' ND2' ' CE1' ' A' ' 32' ' ' TYR . 19.3 m120 -73.99 -9.61 58.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.598 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -132.6 27.56 4.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.573 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 19' ' ' THR . 0.8 OUTLIER -86.56 97.01 10.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.493 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 25' ' ' GLY . 23.7 m-20 46.73 -118.0 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.575 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 24' ' ' ASN . . . -57.48 -154.5 0.01 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.61 -174.91 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.746 0.308 . . . . 0.0 110.595 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -105.71 -117.06 4.26 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.517 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 1.3 tpm_? -154.45 137.46 15.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.747 0.308 . . . . 0.0 110.545 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 28' ' ' ARG . 56.7 p-80 40.7 59.29 2.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.597 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -156.26 21.21 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.485 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.2 p -46.79 138.02 6.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.962 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.617 ' CE1' ' ND2' ' A' ' 21' ' ' ASN . 1.4 m-85 -110.2 145.85 36.57 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.656 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.43 ' C ' ' CD2' ' A' ' 33' ' ' LEU . 6.2 tt -139.85 120.06 13.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.12 107.24 16.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.402 179.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.429 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 30.4 p90 -97.18 135.13 39.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.779 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -122.99 146.42 47.64 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.382 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.484 ' CG2' ' ND1' ' A' ' 51' ' ' HIS . 34.6 t -121.78 129.72 75.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.761 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -143.81 137.1 27.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.461 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.1 ptt85 -89.71 140.64 29.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.602 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.35 126.44 52.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.459 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.62 105.22 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.623 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.487 ' C ' ' H ' ' A' ' 44' ' ' THR . 0.3 OUTLIER 54.39 51.65 13.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.555 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.07 -18.97 1.35 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.487 ' H ' ' C ' ' A' ' 42' ' ' ASN . 1.7 m -75.08 109.05 8.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.803 0.335 . . . . 0.0 110.573 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.5 m -99.3 110.69 23.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.602 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.5 t -110.19 110.67 33.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.521 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.468 ' CB ' ' HZ2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -75.03 148.91 39.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.411 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 28.0 mtm -104.03 141.28 36.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.499 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -81.25 -50.36 9.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.662 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -88.68 66.99 8.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.325 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.484 ' ND1' ' CG2' ' A' ' 37' ' ' VAL . 7.8 t-80 -170.46 -2.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.588 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -100.67 156.44 17.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.644 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.429 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . -171.53 175.03 45.13 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 14.8 p90 -147.29 141.98 26.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.662 0.267 . . . . 0.0 110.591 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 mt -135.62 175.28 9.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.581 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -137.76 152.59 49.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.462 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.543 ' N ' HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.719 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.485 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.868 0.366 . . . . 0.0 110.654 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.62 -20.92 58.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.679 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -42.46 -49.55 5.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.1 tp -76.24 -39.55 54.21 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -51.31 -30.2 17.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.495 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -84.19 -47.19 11.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.602 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.1 tp -63.47 -20.26 65.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.476 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -73.17 -34.36 65.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.42 ' C ' ' CD1' ' A' ' 78' ' ' LEU . 3.8 pp -100.13 8.04 44.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.817 0.341 . . . . 0.0 110.877 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.587 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -63.59 -41.38 65.63 Favored Pre-proline 0 CA--C 1.532 0.286 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.875 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 23.1 Cg_exo -60.99 -17.61 52.68 Favored 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 122.239 1.959 . . . . 0.0 112.092 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.9 -12.07 61.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.803 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.8 mt -87.37 5.9 36.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.675 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 41.92 45.73 3.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.515 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.2 mt -40.01 156.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.669 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 0.6 OUTLIER -115.65 85.05 13.3 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.58 -179.922 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -48.78 -13.18 0.25 Allowed 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.297 1.998 . . . . 0.0 112.233 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.48 ' C ' HE21 ' A' ' 88' ' ' GLN . . . -42.36 -74.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.443 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.48 HE21 ' C ' ' A' ' 87' ' ' ALA . 14.2 mm-40 -90.64 -170.51 2.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.423 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -91.22 158.95 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.454 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -137.17 173.84 11.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.631 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -149.55 110.34 4.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.703 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.8 t -97.23 113.99 33.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.31 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -98.13 118.98 35.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -101.45 131.99 47.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.533 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -126.27 103.05 7.46 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.77 150.0 15.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.971 -177.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 1.0 OUTLIER -97.01 -21.23 17.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.702 178.718 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 18.8 m95 -111.98 153.3 27.0 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.405 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -78.86 160.52 71.46 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.53 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' A' ' 99' ' ' SER . 59.4 Cg_exo -42.16 171.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.497 2.131 . . . . 0.0 112.289 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.44 -75.1 0.5 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.218 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -109.48 98.42 7.81 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.242 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 108' ' ' GLY . 12.6 t -44.72 -28.48 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.945 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -85.28 -21.79 28.85 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.531 -179.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -84.82 -62.35 1.69 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -78.85 -66.85 0.81 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.728 0.299 . . . . 0.0 111.065 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.49 -33.38 72.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.03 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -66.65 -58.17 8.87 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -57.83 -35.47 70.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.885 0.374 . . . . 0.0 110.357 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.9 t -74.73 -34.0 32.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.428 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 67.7 ttt-85 -60.86 -59.5 5.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.081 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.78 -42.22 75.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.131 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -54.13 -39.83 66.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.131 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.422 ' C ' ' N ' ' A' ' 116' ' ' GLU . 1.4 mp -76.09 -53.9 7.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.336 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -46.64 -20.77 0.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.308 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 114' ' ' LEU . 50.8 mt-10 -110.44 -18.88 13.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.088 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.512 ' C ' ' H ' ' A' ' 119' ' ' HIS . 3.2 m120 -134.41 46.97 2.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.793 0.33 . . . . 0.0 111.059 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.9 t -59.32 -1.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.75 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.527 ' ND1' ' O ' ' A' ' 119' ' ' HIS . 2.4 p80 -76.33 8.66 3.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.504 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 8.1 p -131.25 142.14 44.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.653 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.57 136.31 33.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.284 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.8 112.49 21.2 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.806 -179.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -112.41 117.76 33.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.968 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 6.1 mt -105.59 128.48 59.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.202 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -126.42 118.23 24.56 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.769 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -101.06 113.57 26.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.279 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -81.65 -42.95 19.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.819 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -132.05 143.85 50.34 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.434 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.1 mt -103.78 124.44 58.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.57 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -167.58 119.51 0.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.347 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -149.77 -175.16 4.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.515 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -99.83 -57.43 2.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.516 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.57 162.72 19.36 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.387 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.51 -2.92 11.49 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.588 2.192 . . . . 0.0 112.091 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 tp -45.52 -27.7 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.66 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.494 ' CG ' ' N ' ' A' ' 137' ' ' LYS . 0.0 OUTLIER -42.66 -44.03 4.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.5 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.494 ' N ' ' CG ' ' A' ' 136' ' ' TYR . 67.6 tttt -57.21 -55.32 36.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.524 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -45.93 -36.56 5.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.463 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.59 -57.34 12.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.55 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.6 mp -46.17 -34.27 4.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.514 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -77.97 -57.8 3.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.714 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.49 ' SD ' ' OG ' ' A' ' 103' ' ' SER . 2.5 ttm -44.49 -26.83 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.385 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 146' ' ' ALA . 10.2 mt -81.34 -48.88 11.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.468 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -44.98 -35.73 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.516 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.14 -24.52 47.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.542 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -78.99 -24.01 44.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.469 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 88.38 22.34 41.14 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -85.83 160.68 19.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.709 0.29 . . . . 0.0 110.603 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.5 125.93 39.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.493 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 2.2 t -132.14 115.4 26.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.594 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 5.6 p -149.75 161.88 41.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.543 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -84.39 126.69 40.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.533 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.59 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 3.3 ttt -41.6 108.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.601 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.28 174.2 7.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.592 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -53.48 -49.23 67.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.65 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -55.27 -60.55 3.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.744 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . 0.408 ' CD ' ' N ' ' A' ' 157' ' ' GLU . 3.9 mp0 -54.53 -28.84 48.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.794 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.59 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 0.3 OUTLIER -67.83 -63.9 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.673 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 11.6 ttpp -42.62 -46.16 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.993 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . 0.487 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.2 OUTLIER -67.78 -55.2 13.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.905 -179.681 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.487 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 10.9 t -56.21 -23.72 37.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.957 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' TRP . . . . . 0.634 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 4.5 t-105 -72.52 -69.72 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.913 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . 0.634 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 1.1 p30 -63.51 -14.23 48.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.274 -179.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 99.5 m -84.82 -25.75 27.91 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.22 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -121.56 18.77 11.25 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.594 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.573 ' C ' ' H ' ' A' ' 168' ' ' HIS . 58.8 t -134.44 154.09 36.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 121.06 0.457 . . . . 0.0 111.248 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . 0.417 ' N ' ' CG1' ' A' ' 166' ' ' VAL . 0.6 OUTLIER -75.05 33.02 0.1 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.575 179.424 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.746 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -38.18 -53.21 1.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.11 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . 0.629 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 42.8 mm-40 39.03 19.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.367 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . 0.746 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 140.35 0.08 1.91 Allowed Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . 0.618 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 1.2 m -114.12 85.98 10.98 Favored Pre-proline 0 CA--C 1.531 0.222 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -77.47 163.09 30.1 Favored 'Trans proline' 0 C--N 1.314 -1.283 0 C-N-CA 122.061 1.841 . . . . 0.0 112.655 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -51.56 142.56 13.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.734 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -120.84 84.1 37.66 Favored Pre-proline 0 CA--C 1.532 0.251 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.435 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -48.63 131.28 23.78 Favored 'Trans proline' 0 C--N 1.311 -1.435 0 C-N-CA 122.273 1.982 . . . . 0.0 112.147 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 1.3 p90 -98.25 178.15 5.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.509 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -80.84 101.13 9.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.517 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 139.11 -21.44 2.97 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.5 tt -42.26 -44.72 3.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.729 0.299 . . . . 0.0 110.505 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' A' ' 180' ' ' ASP . 0.6 OUTLIER -62.17 -54.02 47.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.567 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -53.35 -54.44 36.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.577 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -50.68 -46.66 58.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.549 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 12.1 t -62.15 -34.08 75.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.599 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -61.95 -34.72 76.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.612 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -74.11 -61.02 2.0 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.558 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 45.3 mt -56.27 -52.65 63.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.537 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 8.5 t -60.18 -46.47 89.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.635 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -47.22 -39.12 12.72 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.43 -60.03 2.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.797 0.332 . . . . 0.0 110.598 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.03 -46.89 44.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.568 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -61.97 -36.45 81.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.609 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -55.06 -48.27 73.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.654 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . 0.463 ' CD1' ' N ' ' A' ' 193' ' ' ILE . 1.6 mp -72.87 -43.32 60.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.626 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.6 mm? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.637 -179.954 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.4 ' CD2' ' N ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.751 0.31 . . . . 0.0 110.362 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.583 ' H ' ' CD2' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -98.82 173.44 6.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.524 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.59 ' SD ' ' CZ ' ' A' ' 54' ' ' PHE . 3.5 mpp? -74.81 167.34 22.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.756 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.67 144.69 80.78 Favored Pre-proline 0 CA--C 1.537 0.451 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.478 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.424 ' O ' ' OG1' ' A' ' 19' ' ' THR . 88.7 Cg_exo -41.49 -48.08 5.58 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 122.113 1.876 . . . . 0.0 112.13 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -45.62 74.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.117 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.9 mm -48.75 -33.58 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.813 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 35.9 t80 -82.5 -60.52 2.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 110.877 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -52.21 -25.66 9.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 -179.69 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.0 t -85.3 -46.93 10.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.66 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.598 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 24.2 t-20 -66.03 -26.44 67.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.666 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -110.19 22.0 16.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.684 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -61.72 102.97 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -43.2 118.57 1.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.609 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.35 76.91 1.01 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.404 ' O ' ' CZ ' ' A' ' 130' ' ' TYR . 1.8 pp -136.71 167.05 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.768 0.318 . . . . 0.0 110.469 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -158.51 -2.91 0.07 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 0.5 OUTLIER -172.9 120.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.589 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' A' ' 28' ' ' ARG . 3.8 m-70 -176.41 -89.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.625 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -175.17 102.14 0.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.296 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.572 ' HG1' HD21 ' A' ' 57' ' ' ASN . 1.6 p -46.56 159.94 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.048 0.451 . . . . 0.0 111.113 -179.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.598 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -130.58 146.99 52.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.264 179.847 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.416 ' C ' ' CD2' ' A' ' 33' ' ' LEU . 4.2 tt -136.29 109.19 7.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.665 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.25 112.36 25.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.006 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.477 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 41.6 p90 -105.61 145.85 30.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.197 -179.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -139.29 130.73 27.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.374 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.4 t -98.14 135.79 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.979 0.419 . . . . 0.0 110.771 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -142.92 140.75 31.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.428 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.508 ' NH1' ' OD2' ' A' ' 41' ' ' ASP . 49.1 ttp85 -101.63 147.45 26.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.513 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mp -100.07 139.48 35.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.624 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.508 ' OD2' ' NH1' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -149.83 103.18 3.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.543 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.458 ' C ' ' H ' ' A' ' 44' ' ' THR . 3.4 t30 52.91 48.31 22.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.594 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.76 -16.76 3.04 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.458 ' H ' ' C ' ' A' ' 42' ' ' ASN . 1.3 m -84.23 106.94 16.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.87 0.366 . . . . 0.0 110.564 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.662 ' HG ' HH21 ' A' ' 91' ' ' ARG . 72.7 m -85.67 142.85 28.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.544 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.4 m -136.28 117.52 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.64 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.32 150.38 24.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.38 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.69 156.7 22.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.662 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.92 -50.49 4.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.638 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -85.14 61.75 7.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.979 0.419 . . . . 0.0 110.189 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -173.41 14.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.133 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.36 170.99 14.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.614 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.477 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . 179.98 -160.34 25.31 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.59 ' CZ ' ' SD ' ' A' ' 13' ' ' MET . 6.9 p90 -149.35 152.29 35.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.761 0.315 . . . . 0.0 110.68 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.409 ' C ' ' CD2' ' A' ' 56' ' ' HIS . 1.2 mp -127.2 178.52 5.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.465 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.409 ' CD2' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -139.62 148.43 42.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.653 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.572 HD21 ' HG1' ' A' ' 31' ' ' THR . 1.2 t-20 . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.644 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.3 t60 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.781 0.324 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.16 -25.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.402 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -63.33 -44.24 95.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.449 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.7 -59.96 3.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.046 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.5 ttp85 -53.19 -24.21 10.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.1 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -81.74 -39.43 24.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.356 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 tp -59.43 -23.57 62.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.08 0.467 . . . . 0.0 109.825 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.07 -16.52 57.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.3 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.3 tt -92.29 -5.15 52.86 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.034 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.502 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -54.33 -44.27 98.53 Favored Pre-proline 0 CA--C 1.534 0.354 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.556 -179.31 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 25.8 Cg_exo -59.57 -20.77 59.08 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 121.995 1.797 . . . . 0.0 111.964 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.1 m -69.0 -9.08 50.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.588 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.454 ' CD1' ' N ' ' A' ' 82' ' ' LEU . 7.3 mp -100.58 -45.55 5.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.303 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.425 ' OE1' ' O ' ' A' ' 83' ' ' GLN . 0.3 OUTLIER 68.59 51.9 0.61 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.86 179.597 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 51.8 mt -68.56 101.92 1.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.437 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.421 ' OD1' ' OE1' ' A' ' 83' ' ' GLN . 0.3 OUTLIER -77.91 161.35 71.53 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.538 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 87' ' ' ALA . 52.1 Cg_endo -71.47 1.28 5.72 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.577 2.185 . . . . 0.0 112.12 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 86' ' ' PRO . . . -41.57 -93.92 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.547 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.666 ' NE2' ' H ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -104.73 -168.91 1.54 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.381 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.428 ' CG2' ' N ' ' A' ' 90' ' ' TYR . 3.2 mm -85.61 157.82 3.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.535 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.428 ' N ' ' CG2' ' A' ' 89' ' ' ILE . 18.1 m-85 -135.65 168.29 19.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.342 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.662 HH21 ' HG ' ' A' ' 45' ' ' SER . 0.5 OUTLIER -150.59 107.79 3.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.796 -179.839 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.4 t -96.14 124.78 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.926 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.6 m -99.63 119.91 38.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.741 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 20.4 m0 -100.35 132.21 45.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.058 0.456 . . . . 0.0 110.677 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.432 ' CE2' ' SG ' ' A' ' 161' ' ' CYS . 62.7 m-85 -124.49 102.75 7.8 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -111.52 143.44 21.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.684 -178.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.487 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 1.6 p -91.63 -26.76 18.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.892 179.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -111.79 151.0 29.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.123 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 100' ' ' PRO . 37.8 m -83.57 150.61 60.19 Favored Pre-proline 0 CA--C 1.533 0.326 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.499 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' A' ' 99' ' ' SER . 66.5 Cg_exo -42.11 170.84 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.284 0 C-N-CA 122.244 1.963 . . . . 0.0 112.375 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.7 p -112.19 -46.56 3.18 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.275 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' A' ' 105' ' ' GLY . 1.5 t80 -135.79 111.37 9.26 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.94 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.2 p -41.08 -36.64 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.977 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -85.25 -19.82 31.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.586 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.22 -63.23 1.59 Allowed Glycine 0 CA--C 1.525 0.695 0 C-N-CA 120.43 -0.89 . . . . 0.0 110.935 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.4 m -78.1 -68.97 0.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 0.0 110.697 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.85 -39.05 68.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.604 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -56.96 -60.3 9.29 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -51.15 -39.78 57.09 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.295 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.54 -37.14 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.489 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -59.6 -58.9 6.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.414 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.411 ' O ' ' OE1' ' A' ' 116' ' ' GLU . . . -49.59 -42.6 44.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.361 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -61.91 -31.16 71.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.651 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.0 mp -80.9 -52.05 7.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.725 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -51.86 -25.9 8.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.573 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' A' ' 112' ' ' ALA . 5.0 pt-20 -110.18 18.09 20.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.556 ' C ' ' H ' ' A' ' 119' ' ' HIS . 5.8 t30 -166.53 35.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.739 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.418 ' C ' ' H ' ' A' ' 120' ' ' VAL . 68.7 p -51.48 -5.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.173 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.556 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -75.73 11.23 1.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 0.0 110.657 -179.881 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.418 ' H ' ' C ' ' A' ' 118' ' ' THR . 4.1 p -138.94 129.33 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.68 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -91.47 120.92 32.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.346 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.18 112.59 25.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.048 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -94.34 121.16 35.58 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 21.0 mm -104.38 125.97 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.927 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -126.4 113.42 16.84 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -98.25 110.87 23.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.155 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -78.52 -38.82 39.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.788 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.487 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.5 OUTLIER -137.05 148.6 46.89 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.571 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 2.1 mp -114.17 104.25 16.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.747 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.404 ' CZ ' ' O ' ' A' ' 26' ' ' ILE . 6.9 m-85 -140.13 118.69 12.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.258 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.462 ' C ' ' H ' ' A' ' 133' ' ' ASP . 19.6 p30 -177.61 138.3 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.462 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . 0.504 ' CD2' ' OD1' ' A' ' 133' ' ' ASP . 54.7 p90 -74.21 10.06 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.143 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.521 ' C ' ' H ' ' A' ' 135' ' ' LEU . 57.9 m-20 -125.48 78.99 67.68 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.545 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.488 ' C ' ' H ' ' A' ' 136' ' ' TYR . 50.7 Cg_exo -49.9 -5.35 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.638 2.226 . . . . 0.0 112.492 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.521 ' H ' ' C ' ' A' ' 133' ' ' ASP . 2.6 mt -46.84 -14.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.608 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.488 ' H ' ' C ' ' A' ' 134' ' ' PRO . 0.2 OUTLIER -42.19 -33.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.546 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -52.74 -59.21 4.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.251 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.05 -32.21 63.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.154 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -69.02 -24.09 64.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.388 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.7 -43.54 54.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.245 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -80.12 -36.91 34.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.769 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -46.53 80.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.687 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 146' ' ' ALA . 52.5 tp -66.19 -49.76 66.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.464 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 8.5 ttt85 -45.0 -48.66 11.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.555 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -58.54 -24.82 61.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.584 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -70.81 -10.94 60.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.636 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.31 -32.34 6.04 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -47.59 164.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.77 0.319 . . . . 0.0 110.502 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.25 132.7 41.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.513 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.99 111.92 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.654 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.08 162.11 41.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.509 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 10.1 mt -83.02 132.87 30.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.449 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.586 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 5.8 ttt -41.51 118.92 1.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.539 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.24 160.03 15.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.642 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -56.21 -45.98 79.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.616 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -43.14 75.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.492 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -65.85 -40.27 91.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.519 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.586 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.8 OUTLIER -52.37 -41.45 63.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.536 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -67.03 -60.79 2.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.595 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . 0.432 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -47.74 -44.47 28.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.363 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.529 ' O ' ' N ' ' A' ' 165' ' ' PHE . 1.3 m -67.19 -52.92 35.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.591 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' TRP . . . . . 0.585 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.1 t-105 -43.81 -66.57 0.37 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . 0.585 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -59.37 -30.35 68.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.452 -179.215 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 91.0 m -83.74 -16.36 45.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.354 -179.096 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.529 ' N ' ' O ' ' A' ' 161' ' ' CYS . 36.1 m-85 -120.42 19.7 12.0 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.377 -179.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.564 ' C ' ' H ' ' A' ' 168' ' ' HIS . 96.1 t -144.67 154.05 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.026 0.441 . . . . 0.0 111.121 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 168' ' ' HIS . 32.8 p30 -75.5 29.22 0.1 Allowed 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.873 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.729 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -37.84 -52.18 1.31 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.036 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . 0.609 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 13.8 mt-30 40.12 18.62 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.396 179.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . 0.729 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 138.92 4.42 1.56 Allowed Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.386 -0.685 . . . . 0.0 111.386 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . 0.627 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 1.2 m -115.55 84.1 11.82 Favored Pre-proline 0 CA--C 1.53 0.201 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -79.19 131.87 10.02 Favored 'Trans proline' 0 C--N 1.313 -1.303 0 C-N-CA 122.137 1.891 . . . . 0.0 112.317 -179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . 0.434 ' CE1' ' O ' ' A' ' 174' ' ' GLN . 2.4 t80 -79.31 128.72 33.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.65 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . 0.459 ' CD ' ' N ' ' A' ' 174' ' ' GLN . 0.0 OUTLIER -101.23 156.68 34.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.423 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -71.29 146.89 52.0 Favored 'Trans proline' 0 N--CA 1.494 1.5 0 C-N-CA 122.476 2.118 . . . . 0.0 112.098 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 1.2 p90 -101.18 -170.06 1.78 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.292 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.25 86.56 7.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.585 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 151.78 -24.76 0.93 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 3.1 tp -56.57 -38.26 71.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 110.46 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 180' ' ' ASP . 0.0 OUTLIER -70.4 -50.93 33.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.495 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -56.47 -57.19 13.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.54 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -49.38 -55.45 12.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.575 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 55.4 p -48.46 -39.72 23.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.63 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -66.73 -48.04 70.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.461 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -57.7 -58.62 7.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.425 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 5.6 mt -51.6 -49.15 62.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.519 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 48.4 m -56.51 -25.04 50.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.492 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -72.42 -44.98 39.96 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 22.2 mtm180 -59.4 -61.67 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.318 . . . . 0.0 110.493 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.2 tt -47.8 -56.65 6.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.468 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -49.97 -36.17 27.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.564 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -57.78 -50.42 73.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.62 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . 0.406 ' N ' ' CD1' ' A' ' 193' ' ' ILE . 1.7 mp -59.45 -38.12 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.461 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 4.0 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.55 -179.997 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.768 0.318 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.509 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 6.4 mp -94.55 174.98 6.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.068 -179.835 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.508 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -61.16 144.26 53.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.322 -179.818 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.0 138.7 79.34 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.781 -179.213 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.418 ' O ' ' OG1' ' A' ' 19' ' ' THR . 81.0 Cg_exo -40.96 -46.76 5.0 Favored 'Trans proline' 0 N--CA 1.491 1.331 0 C-N-CA 122.132 1.888 . . . . 0.0 112.407 179.436 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -70.17 -44.73 68.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.197 -179.442 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.7 mm -48.81 -39.18 11.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.75 -179.525 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -79.3 -60.89 2.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.689 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.5 OUTLIER -48.16 -24.24 1.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.642 -179.954 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.5 t -81.08 -49.36 10.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.63 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -71.81 -1.63 14.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.732 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -133.17 24.52 4.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.664 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.5 ' CG ' ' H ' ' A' ' 24' ' ' ASN . 0.7 OUTLIER -77.86 -119.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.614 179.95 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.5 ' H ' ' CG ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -148.7 157.61 43.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.497 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 43.38 70.96 0.47 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.6 pp -103.2 -165.95 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.23 159.05 27.88 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.519 ' CA ' ' NE ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -68.64 124.34 23.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.415 0.626 . . . . 0.0 110.392 -179.289 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.574 ' N ' ' ND1' ' A' ' 29' ' ' HIS . 0.0 OUTLIER -157.29 -30.35 0.08 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.544 179.537 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.44 ' N ' ' ND1' ' A' ' 29' ' ' HIS . 2.9 pttt 168.23 77.35 0.0 OUTLIER 'General case' 0 C--O 1.231 0.095 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.793 179.641 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.491 ' HG1' ' N ' ' A' ' 32' ' ' TYR . 4.9 t -44.52 162.29 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.769 179.928 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.491 ' N ' ' HG1' ' A' ' 31' ' ' THR . 2.5 m-85 -110.65 151.05 28.14 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.754 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.1 tp -143.12 111.88 6.44 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.454 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.31 132.19 51.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.065 179.437 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.441 ' O ' ' CG ' ' A' ' 35' ' ' TYR . 6.5 p90 -123.82 134.57 53.59 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 -179.568 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -123.26 159.1 29.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.276 179.587 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.6 t -130.56 123.38 54.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.584 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.526 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 1.2 tm-20 -139.14 138.24 36.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.625 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -98.11 139.02 34.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.496 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.9 mt -105.77 137.79 43.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.502 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -148.42 104.57 3.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.527 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 55.66 36.1 26.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.554 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.9 -3.17 84.7 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.9 m -87.61 114.5 24.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 110.526 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.422 ' OG ' ' OE1' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -97.41 110.27 22.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.589 -179.938 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.8 t -101.53 98.37 6.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.532 179.906 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -73.33 131.55 42.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.444 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.464 ' O ' ' NH1' ' A' ' 52' ' ' ARG . 53.8 mtt -80.97 150.77 28.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.658 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.21 -50.4 5.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.474 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -108.44 71.07 0.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.383 179.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -163.66 14.39 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.619 -179.734 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.464 ' NH1' ' O ' ' A' ' 48' ' ' MET . 5.5 ptp85 -124.21 170.84 10.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.56 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -178.94 -174.26 44.97 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.491 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 8.1 p90 -147.47 147.92 30.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.734 0.302 . . . . 0.0 110.678 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mp -133.56 166.67 22.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.592 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -128.94 151.57 49.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.217 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 110.929 -179.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.758 0.313 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.62 -36.52 80.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.439 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -55.96 -52.14 65.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.493 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.2 mp -53.05 -39.01 62.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.477 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -69.46 -27.44 65.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.58 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -78.86 -48.22 15.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.593 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 tp -65.76 -20.32 66.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.667 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -77.43 -29.06 52.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.991 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.411 ' C ' ' CD1' ' A' ' 78' ' ' LEU . 4.1 pp -105.05 7.79 34.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.675 -179.891 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.572 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -63.88 -41.44 63.65 Favored Pre-proline 0 CA--C 1.532 0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.806 179.865 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 32.9 Cg_exo -58.5 -18.53 39.84 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.166 1.911 . . . . 0.0 111.9 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.2 t -57.1 -8.98 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.598 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.437 ' H ' ' C ' ' A' ' 80' ' ' PRO . 35.1 mt -97.41 -34.64 10.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.531 -179.783 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 56.34 44.91 23.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.89 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 79.6 mt -50.46 135.86 21.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.219 179.727 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.51 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -100.63 162.58 20.28 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.615 -179.798 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -71.75 3.8 3.54 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.572 2.182 . . . . 0.0 112.232 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.56 -70.61 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.567 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.569 ' NE2' ' H ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -129.68 -176.42 3.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.199 179.804 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.9 mt -84.64 157.96 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.612 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -127.92 169.71 13.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.618 -179.907 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.526 ' NH2' ' OE1' ' A' ' 38' ' ' GLU . 4.6 ttm180 -147.09 107.35 4.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.621 179.822 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 39.5 t -93.31 126.48 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.291 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.34 116.75 32.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.814 -179.649 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 14.0 m0 -101.31 131.96 47.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.568 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.526 ' CG ' ' SG ' ' A' ' 161' ' ' CYS . 19.0 m-85 -126.68 102.94 7.29 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 178.664 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.74 141.08 24.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.76 -178.548 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.42 ' HG ' ' H ' ' A' ' 32' ' ' TYR . 2.9 p -93.24 -18.42 22.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.669 178.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.517 ' CE3' ' NH2' ' A' ' 28' ' ' ARG . 20.1 m95 -125.63 141.64 51.92 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.391 -179.903 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.33 159.73 2.98 Favored Pre-proline 0 C--N 1.331 -0.233 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.327 179.513 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -69.45 165.01 32.08 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 122.388 2.059 . . . . 0.0 112.203 179.715 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.598 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 13.9 p -96.58 -145.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.545 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.598 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -40.96 103.57 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.892 179.568 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.5 p -38.86 -24.63 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.646 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.52 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -84.61 -33.95 23.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.254 -179.59 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -77.65 -61.65 2.54 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -68.64 -68.95 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.742 0.306 . . . . 0.0 111.123 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.87 -60.36 3.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.092 -179.475 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -42.0 -53.05 4.77 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 105' ' ' GLY . 6.0 mm-40 -49.42 -44.68 45.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.37 . . . . 0.0 110.328 179.862 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 87.1 t -68.29 -43.33 84.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.438 179.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.495 ' NH2' ' OE1' ' A' ' 115' ' ' GLN . 69.7 ttt-85 -49.22 -58.51 4.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.42 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.8 -48.01 67.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.389 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -52.61 -36.45 56.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.508 179.843 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.464 ' C ' ' N ' ' A' ' 116' ' ' GLU . 4.8 mp -77.81 -58.48 3.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.55 -179.912 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.495 ' OE1' ' NH2' ' A' ' 111' ' ' ARG . 14.6 mt-30 -47.99 -15.17 0.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.42 179.86 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.464 ' N ' ' C ' ' A' ' 114' ' ' LEU . 29.9 tt0 -110.13 -38.64 5.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.808 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.443 ' C ' ' H ' ' A' ' 119' ' ' HIS . 70.3 m-20 -125.3 52.95 1.57 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.825 -179.668 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.403 ' C ' ' H ' ' A' ' 120' ' ' VAL . 2.4 t -67.65 2.57 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.512 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.443 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.1 OUTLIER -76.31 9.83 2.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.358 179.871 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.403 ' H ' ' C ' ' A' ' 118' ' ' THR . 9.3 p -132.36 147.28 32.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.518 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -91.53 126.71 36.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.369 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.83 112.33 24.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.575 -179.793 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -110.71 118.89 37.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.984 179.496 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 9.1 mt -105.45 129.17 58.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.117 -179.254 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.523 ' CD1' ' OE1' ' A' ' 157' ' ' GLU . 65.9 m-85 -124.86 108.49 11.97 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.734 179.514 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -92.22 106.87 18.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.265 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -75.17 -38.11 60.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.623 -179.846 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.43 132.88 28.52 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.733 179.889 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 2.5 mp -98.2 109.71 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.621 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -127.96 135.35 49.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.383 179.672 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -168.39 171.75 8.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.681 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -103.57 -21.75 13.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.627 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.01 160.4 58.28 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.379 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.45 64.52 2.89 Favored 'Trans proline' 0 C--N 1.31 -1.472 0 C-N-CA 122.481 2.121 . . . . 0.0 111.898 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.5 tp -92.96 -30.79 15.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.571 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.594 ' CD1' ' N ' ' A' ' 137' ' ' LYS . 0.5 OUTLIER -45.98 -24.92 0.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.51 -179.92 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.594 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 10.1 ttmm -58.9 -61.1 2.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.519 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.96 -36.04 69.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.53 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.7 -49.79 75.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.527 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.5 mp -52.99 -41.51 64.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.455 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . 0.592 HE22 ' NH2' ' A' ' 144' ' ' ARG . 67.2 mm-40 -70.89 -54.87 9.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.618 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 9.9 mmm -45.27 -41.97 9.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.587 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.1 mt -68.92 -42.41 76.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.645 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.592 ' NH2' HE22 ' A' ' 141' ' ' GLN . 16.3 ttm180 -56.31 -31.49 63.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.518 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.3 -14.15 41.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.579 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.43 -18.14 27.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.542 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.8 70.69 1.26 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -144.51 166.76 24.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 110.561 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -93.65 123.12 36.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.55 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -127.46 109.95 21.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.588 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 67.6 m -151.48 162.52 40.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.414 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 22.9 mt -90.91 139.03 18.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.495 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.585 ' SD ' ' CE1' ' A' ' 158' ' ' PHE . 2.8 ttm -48.87 120.03 3.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.593 -179.858 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 31.7 p -97.84 165.63 11.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.739 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -48.0 -44.26 30.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.663 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -62.2 -61.05 2.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . 0.523 ' OE1' ' CD1' ' A' ' 125' ' ' PHE . 37.0 mt-10 -52.2 -29.05 20.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.603 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.585 ' CE1' ' SD ' ' A' ' 153' ' ' MET . 0.3 OUTLIER -63.25 -65.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.32 179.814 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -42.52 -41.22 2.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . 0.612 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.93 -57.58 4.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.594 -179.894 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.612 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 2.6 t -55.08 -23.22 19.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.569 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 162' ' ' TRP . . . . . 0.617 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.4 t-105 -72.56 -70.52 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.209 -179.554 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . 0.617 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 1.4 p30 -66.23 -14.34 61.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.333 -179.359 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 87.1 m -81.71 -25.87 35.08 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.192 -179.604 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.508 ' O ' ' SD ' ' A' ' 13' ' ' MET . 5.3 m-85 -121.26 16.82 11.48 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.161 -179.547 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.572 ' C ' ' H ' ' A' ' 168' ' ' HIS . 71.5 t -130.66 153.8 39.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.882 0.372 . . . . 0.0 111.587 179.912 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . 0.417 ' N ' ' CG1' ' A' ' 166' ' ' VAL . 1.5 p-10 -74.69 29.71 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.608 178.885 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.718 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -36.84 -56.45 0.85 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.255 -179.783 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . 0.621 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 1.9 mt-30 42.72 14.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.232 179.423 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . 0.718 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 145.27 -1.69 1.05 Allowed Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . 0.629 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 0.1 OUTLIER -99.57 106.25 38.71 Favored Pre-proline 0 CA--C 1.538 0.492 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.74 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -77.1 158.24 33.97 Favored 'Trans proline' 0 N--CA 1.491 1.354 0 C-N-CA 121.737 1.624 . . . . 0.0 112.723 -179.099 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -51.81 149.79 4.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.666 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -114.26 87.07 12.82 Favored Pre-proline 0 CA--C 1.533 0.305 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.617 -179.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -79.9 131.22 8.94 Favored 'Trans proline' 0 C--N 1.314 -1.247 0 C-N-CA 122.132 1.888 . . . . 0.0 112.027 -179.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 26.7 p90 -89.77 145.19 25.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.659 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -52.96 102.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.569 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 136.33 -12.6 4.07 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.17 -30.38 26.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.563 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . 0.407 ' O ' ' OG ' ' A' ' 183' ' ' SER . 34.0 m-20 -73.74 -47.55 38.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.508 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -62.63 -57.58 10.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.539 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -49.68 -46.63 50.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.572 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 183' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 180' ' ' ASP . 89.1 p -59.27 -44.77 92.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.656 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -56.19 -30.25 62.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.552 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -72.94 -65.17 0.83 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 8.4 mp -53.93 -49.24 69.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.466 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 22.8 m -59.58 -32.25 70.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.382 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -67.49 -37.51 89.96 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -61.22 -59.57 5.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.775 0.321 . . . . 0.0 110.476 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -57.18 -28.6 62.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.512 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -79.81 -16.26 55.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.485 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -79.46 -49.22 12.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.628 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . 0.413 ' CG2' ' N ' ' A' ' 194' ' ' LEU . 20.6 tt -68.63 -42.44 83.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.628 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . 0.413 ' N ' ' CG2' ' A' ' 193' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.411 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.51 ' CD2' ' O ' ' A' ' 11' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.838 0.351 . . . . 0.0 110.663 . . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.509 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 7.6 mp -95.17 173.35 7.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.329 179.857 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.473 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 2.6 mpp? -80.74 165.97 21.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.782 0.325 . . . . 0.0 110.447 179.594 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -81.15 143.21 52.27 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.824 -179.401 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.438 ' O ' ' OG1' ' A' ' 19' ' ' THR . 71.7 Cg_exo -42.44 -55.65 2.48 Favored 'Trans proline' 0 N--CA 1.489 1.257 0 C-N-CA 122.184 1.922 . . . . 0.0 112.701 179.612 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -59.74 -46.78 88.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.763 -179.056 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 mm -48.47 -36.06 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.853 -179.177 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -82.69 -61.14 1.96 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.724 0.297 . . . . 0.0 110.913 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -44.35 -24.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.783 -179.674 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.6 m -85.75 -59.7 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.759 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.535 HD21 ' NH2' ' A' ' 28' ' ' ARG . 11.7 m120 -64.78 -4.06 3.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.876 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 23' ' ' ASN . 41.8 m-85 -133.37 17.67 4.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.675 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.44 ' CG ' ' H ' ' A' ' 24' ' ' ASN . 58.9 t-20 -59.79 -123.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.5 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.44 ' H ' ' CG ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -158.92 119.67 3.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.674 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.665 ' H ' ' NH1' ' A' ' 128' ' ' ARG . . . 69.17 108.25 0.03 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.518 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -145.57 -167.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.867 0.365 . . . . 0.0 110.588 179.865 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.58 30.87 0.41 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.535 ' NH2' HD21 ' A' ' 21' ' ' ASN . 0.2 OUTLIER -103.77 150.42 24.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.852 0.358 . . . . 0.0 110.638 -179.94 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.523 ' N ' ' ND1' ' A' ' 29' ' ' HIS . 0.6 OUTLIER -101.84 82.94 2.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.55 179.889 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.77 50.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.616 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 t -46.97 153.82 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.142 -179.77 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.45 ' CZ ' ' ND1' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -115.75 140.48 49.17 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.115 179.487 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.422 ' C ' ' CD2' ' A' ' 33' ' ' LEU . 5.3 tt -132.45 118.04 18.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.607 -179.692 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.67 125.55 54.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.075 179.578 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.401 ' CZ ' ' N ' ' A' ' 53' ' ' GLY . 29.4 p90 -115.26 143.1 45.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 -179.664 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.484 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 1.2 mm-40 -128.69 156.98 42.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.317 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.484 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 7.0 t -129.09 127.67 66.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.863 -179.79 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -136.7 118.12 14.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.351 179.609 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.1 ttt-85 -87.13 135.91 33.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.644 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 3.6 mm? -72.59 145.3 47.46 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -153.44 107.33 3.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.616 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.05 22.12 8.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.567 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.91 -12.95 66.8 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.7 m -89.0 138.59 31.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.78 0.324 . . . . 0.0 110.579 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.421 ' O ' ' OG ' ' A' ' 45' ' ' SER . 0.9 OUTLIER -86.62 112.1 21.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.492 -179.941 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.3 t -99.57 107.22 20.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.585 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -83.57 136.36 34.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.51 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 57.9 mtm -99.85 145.96 27.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.657 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.4 -50.12 7.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.574 -179.899 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -92.15 69.74 5.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.44 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.438 ' ND1' ' CB ' ' A' ' 37' ' ' VAL . 13.9 t-80 -168.51 -5.61 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.539 -179.865 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -103.06 170.71 7.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.495 -179.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.401 ' N ' ' CZ ' ' A' ' 35' ' ' TYR . . . -175.05 175.83 47.12 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.454 ' CE1' ' SD ' ' A' ' 13' ' ' MET . 18.2 p90 -149.87 152.81 35.7 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.5 150.21 17.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 110.763 -179.876 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.55 ' ND1' ' N ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -100.58 164.43 11.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.246 179.828 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.403 ' ND2' ' C ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.8 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.529 0.138 0 CA-C-O 120.934 0.397 . . . . 0.0 110.665 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.1 -21.15 65.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.582 -178.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.52 ' OE2' ' CZ3' ' A' ' 94' ' ' TRP . 2.1 tp10 -42.31 -58.53 2.15 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.879 -179.462 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.8 mp -63.66 -48.47 77.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.178 -179.692 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.1 mmm-85 -44.0 -28.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.413 -179.822 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -84.54 -49.89 8.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.305 179.673 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.3 tp -60.15 -19.48 54.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.454 179.689 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -72.77 -41.48 65.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.701 -179.276 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.0 pp -97.11 8.79 43.77 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.02 -179.544 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.573 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -63.62 -41.55 66.55 Favored Pre-proline 0 CA--C 1.533 0.313 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.888 179.781 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 34.5 Cg_exo -57.19 -18.8 31.18 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.145 1.897 . . . . 0.0 111.95 -179.914 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.21 -22.07 64.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.463 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.7 mt -71.29 -26.2 62.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.475 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 63.22 47.22 4.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.736 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 74.9 mt -41.81 156.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.439 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.411 ' C ' ' H ' ' A' ' 87' ' ' ALA . 10.9 t70 -115.28 85.43 12.85 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.662 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -48.07 -13.93 0.25 Allowed 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 122.257 1.971 . . . . 0.0 112.229 -179.783 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.411 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -60.33 -18.7 51.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.342 179.819 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -138.63 -167.55 2.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -107.79 158.95 7.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.065 0.46 . . . . 0.0 110.587 179.803 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -140.1 163.78 31.79 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.798 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -128.2 105.75 8.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.381 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.1 t -95.18 111.3 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.285 179.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -98.97 118.74 36.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.757 -179.782 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.52 ' CZ3' ' OE2' ' A' ' 72' ' ' GLU . 17.6 m0 -100.92 132.28 46.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.73 179.879 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -123.11 102.72 8.13 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.361 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.42 134.18 56.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.695 -178.118 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 1.4 p -86.5 -26.49 24.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.904 178.888 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.47 ' CH2' ' O ' ' A' ' 28' ' ' ARG . 18.3 m95 -111.89 153.35 26.8 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.674 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.51 160.82 76.5 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.367 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -56.0 172.86 0.49 Allowed 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.58 2.187 . . . . 0.0 112.06 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.97 -74.06 0.63 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.605 -179.803 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.52 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -101.63 99.19 9.44 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.438 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 52.1 m -41.61 -30.18 0.21 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.985 -179.529 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -85.41 -23.92 27.72 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.731 -179.297 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -84.89 -62.15 1.7 Allowed Glycine 0 CA--C 1.525 0.682 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.223 -179.627 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.92 -59.23 2.81 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.142 -179.651 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.33 -50.48 71.45 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.665 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -48.96 -43.03 30.86 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.862 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -71.02 -37.01 72.61 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.093 179.702 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 94.1 t -62.71 -62.95 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.436 179.672 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.55 ' CG ' ' N ' ' A' ' 112' ' ' ALA . 0.1 OUTLIER -47.21 -51.72 17.77 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.331 -0.547 . . . . 0.0 109.577 179.866 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.55 ' N ' ' CG ' ' A' ' 111' ' ' ARG . . . -42.25 -44.88 3.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.423 -179.677 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -63.04 -33.18 74.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.706 179.729 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 111' ' ' ARG . 5.2 mt -76.13 -58.99 2.96 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.269 -179.521 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.544 ' N ' ' OE1' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -58.86 -14.08 7.99 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.241 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -103.19 -39.26 6.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.503 ' O ' ' N ' ' A' ' 119' ' ' HIS . 2.3 m120 -125.19 49.19 1.91 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.883 -179.801 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.482 ' C ' ' H ' ' A' ' 120' ' ' VAL . 1.6 t -45.71 -13.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.081 -179.814 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.508 ' CE1' ' CG2' ' A' ' 120' ' ' VAL . 10.2 p80 -76.23 17.63 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.05 0.453 . . . . 0.0 110.472 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.508 ' CG2' ' CE1' ' A' ' 119' ' ' HIS . 42.2 t -140.14 138.3 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.384 179.822 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -91.3 148.49 22.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.111 179.766 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.81 112.39 13.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.815 -179.567 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -114.05 118.95 35.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.788 179.385 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 7.7 mt -105.07 129.8 57.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.039 -179.36 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.521 ' CE1' ' OE2' ' A' ' 157' ' ' GLU . 66.6 m-85 -124.5 114.74 19.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.574 179.644 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -98.43 96.86 8.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.49 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.0 -37.62 88.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.675 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.665 ' NH1' ' H ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -138.56 134.01 33.3 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.726 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.557 ' CD1' ' N ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -92.48 110.0 22.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.268 179.756 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -162.55 129.38 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.453 -179.848 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.493 ' C ' ' H ' ' A' ' 133' ' ' ASP . 29.1 p-10 -174.64 131.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.493 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -70.72 9.81 0.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.213 179.8 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.564 ' C ' ' H ' ' A' ' 135' ' ' LEU . 53.3 m-20 -119.63 85.62 33.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.506 -179.909 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.452 ' C ' ' H ' ' A' ' 136' ' ' TYR . 50.2 Cg_exo -50.43 -1.27 0.04 OUTLIER 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.639 2.226 . . . . 0.0 112.818 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.564 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.4 tp -69.48 4.66 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.8 0.333 . . . . 0.0 110.577 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.452 ' H ' ' C ' ' A' ' 134' ' ' PRO . 6.9 p90 -56.99 -30.39 64.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.77 -179.909 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -57.7 -60.07 4.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.336 179.815 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -59.14 -23.57 62.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.301 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -69.25 -34.35 74.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.564 179.893 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.0 mp -72.51 -43.77 63.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.65 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -74.69 -48.89 23.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.796 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.3 -54.6 20.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.701 -179.832 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 29.7 tp -61.56 -43.7 98.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.79 -179.777 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.508 ' C ' ' H ' ' A' ' 146' ' ' ALA . 36.8 ttp180 -47.4 -41.33 19.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.836 -179.768 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -63.22 2.28 0.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.711 -179.857 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . 0.508 ' H ' ' C ' ' A' ' 144' ' ' ARG . . . -104.48 -24.21 13.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.652 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 102.9 -24.62 30.07 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -46.92 157.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.744 0.306 . . . . 0.0 110.603 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -95.7 124.76 39.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.524 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.417 ' O ' ' CG1' ' A' ' 150' ' ' VAL . 10.6 p -132.0 109.7 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.546 -179.875 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.11 162.02 41.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.608 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.93 139.09 19.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.516 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.585 ' SD ' ' CD1' ' A' ' 158' ' ' PHE . 9.2 ttm -49.8 148.4 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.634 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.09 156.16 29.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.683 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.466 ' C ' ' CD1' ' A' ' 155' ' ' TYR . 11.6 t80 -43.35 -47.92 6.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.789 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.74 -46.16 77.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.574 -179.872 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . 0.521 ' OE2' ' CE1' ' A' ' 125' ' ' PHE . 14.1 mt-10 -64.84 -41.61 95.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.727 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.585 ' CD1' ' SD ' ' A' ' 153' ' ' MET . 4.9 m-85 -51.99 -49.06 64.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.444 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 13.6 ttpt -57.28 -59.58 4.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -43.03 -40.72 3.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.895 -179.771 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 165' ' ' PHE . 93.4 m -76.71 -64.32 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.883 -179.635 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 162' ' ' TRP . . . . . 0.488 ' CD1' ' C ' ' A' ' 162' ' ' TRP . 1.1 t-105 -44.33 -31.51 1.06 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.978 0.418 . . . . 0.0 110.584 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.13 -46.68 12.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.377 -179.761 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 30.7 m -86.91 -50.32 6.77 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -178.492 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.523 ' N ' ' O ' ' A' ' 161' ' ' CYS . 6.1 m-85 -74.54 12.8 0.71 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.489 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -150.16 137.54 13.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.526 179.588 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . 0.468 ' C ' ' H ' ' A' ' 169' ' ' GLN . 0.0 OUTLIER -69.85 65.99 0.24 Allowed 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.717 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.694 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -56.23 -8.23 0.46 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.609 -179.188 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . 0.468 ' H ' ' C ' ' A' ' 167' ' ' ASP . 25.7 mm-40 40.2 22.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.631 179.758 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . 0.694 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 100.34 32.66 5.42 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -179.742 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . 0.521 ' N ' ' O ' ' A' ' 168' ' ' HIS . 9.2 t -116.31 84.56 14.49 Favored Pre-proline 0 C--N 1.331 -0.227 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 -179.871 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -47.95 164.28 0.18 Allowed 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 122.326 2.017 . . . . 0.0 112.195 -179.633 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -51.78 149.68 4.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.999 -179.459 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -116.95 85.99 18.83 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.344 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -77.14 131.9 12.25 Favored 'Trans proline' 0 C--N 1.314 -1.266 0 C-N-CA 122.068 1.846 . . . . 0.0 112.195 -179.519 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 13.2 p90 -100.18 167.4 10.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.632 -179.811 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.73 116.04 9.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.609 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 125.89 -27.71 5.08 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.0 tt -43.05 -33.72 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.33 . . . . 0.0 110.533 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -66.89 -60.9 2.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.482 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -55.14 -47.2 75.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.424 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 182' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 185' ' ' ALA . 68.8 m-70 -55.27 -62.56 1.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.539 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 39.4 p -43.87 -33.62 1.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.489 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -68.68 -35.45 77.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.431 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 182' ' ' HIS . . . -66.18 -48.23 71.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.438 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . 0.452 ' CD2' ' N ' ' A' ' 186' ' ' LEU . 4.2 mm? -53.07 -47.34 68.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.032 179.745 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -27.07 68.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.106 179.604 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -68.16 -29.04 73.15 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.755 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 10.2 mtt85 -77.69 -61.72 1.9 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.85 0.357 . . . . 0.0 110.424 179.84 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.5 tt -54.29 -44.92 72.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.406 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -60.57 -43.1 97.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.601 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -49.25 -52.43 27.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.557 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . 0.421 ' CD1' ' N ' ' A' ' 193' ' ' ILE . 1.6 mp -61.22 -56.6 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.489 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.483 179.996 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.745 0.307 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.605 ' CD2' ' N ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -107.1 173.23 6.41 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.842 -179.96 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.6 ptp -91.14 163.03 14.42 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.228 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -69.58 146.05 95.69 Favored Pre-proline 0 CA--C 1.535 0.385 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.745 -179.353 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.42 ' O ' ' OG1' ' A' ' 19' ' ' THR . 88.1 Cg_exo -40.32 -49.19 3.98 Favored 'Trans proline' 0 N--CA 1.49 1.296 0 C-N-CA 122.296 1.997 . . . . 0.0 112.004 179.342 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.559 ' CG ' ' N ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -61.01 -54.33 46.19 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.408 -179.938 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.559 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 3.7 mm -48.58 -30.09 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.642 -179.692 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -81.77 -51.89 7.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.531 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -55.51 -33.69 63.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.444 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 16' ' ' HIS . 0.4 OUTLIER -72.59 -50.06 28.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.498 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.503 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 26.5 m120 -67.18 -11.71 58.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.507 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -133.22 26.09 4.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.527 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 19' ' ' THR . 0.2 OUTLIER -67.02 -14.37 62.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.556 -179.911 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.508 ' OD1' ' NH1' ' A' ' 128' ' ' ARG . 0.6 OUTLIER 63.88 128.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.453 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.621 ' N ' HH11 ' A' ' 128' ' ' ARG . . . 76.0 64.83 2.14 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 pp -101.64 -175.85 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.802 0.334 . . . . 0.0 110.593 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -154.46 2.45 0.22 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.86 166.77 11.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.731 0.301 . . . . 0.0 110.512 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -100.96 93.07 5.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.545 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -173.09 52.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.361 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.2 p -46.85 162.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.987 -179.75 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.503 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -128.07 139.0 52.77 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.373 179.881 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.43 ' C ' ' CD2' ' A' ' 33' ' ' LEU . 6.3 tt -136.55 120.7 17.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.452 -179.763 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.73 110.28 19.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.245 179.632 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -92.93 134.5 35.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.82 -179.6 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -126.19 129.78 49.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.534 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.2 t -101.56 125.78 55.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.641 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -133.05 127.12 33.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.523 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.5 ttm-85 -86.86 142.99 27.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.379 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mp -99.29 139.62 34.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.65 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -143.27 99.58 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.556 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.425 ' C ' ' H ' ' A' ' 44' ' ' THR . 52.0 m-20 49.54 53.36 12.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.58 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.31 -27.1 2.85 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.425 ' H ' ' C ' ' A' ' 42' ' ' ASN . 2.0 m -69.68 120.93 16.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.783 0.325 . . . . 0.0 110.562 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.5 p -100.24 113.56 26.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.662 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.3 t -113.27 123.18 68.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.424 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.483 ' CD ' ' H ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -81.98 153.35 26.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.711 -179.842 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -102.95 147.01 27.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.52 179.899 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.512 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 17.1 p-10 -93.99 -50.17 5.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.551 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.3 61.32 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.436 179.916 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -170.27 25.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 -179.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -131.3 164.67 25.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.479 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -178.8 -175.39 45.81 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -149.21 164.09 35.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 110.812 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.8 mt -143.42 178.34 7.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.498 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.428 ' O ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -129.35 138.02 51.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.564 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' A' ' 56' ' ' HIS . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.608 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.487 ' C ' ' H ' ' A' ' 72' ' ' GLU . 2.1 t60 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.784 0.326 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -47.3 -15.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.436 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.487 ' H ' ' C ' ' A' ' 70' ' ' HIS . 2.5 tt0 -61.11 -57.42 12.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.584 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.0 mt -50.25 -46.58 54.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.593 -179.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -56.36 -34.86 67.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.532 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -77.42 -42.72 35.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.537 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.2 mt -68.34 -20.15 64.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.655 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -78.19 -24.41 47.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 -179.538 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.423 ' C ' ' CD1' ' A' ' 78' ' ' LEU . 4.1 pp -109.52 6.02 23.71 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.798 0.332 . . . . 0.0 110.929 -179.76 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.591 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -64.1 -41.21 60.25 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.749 179.907 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 23.7 Cg_exo -60.88 -19.17 60.95 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.356 2.037 . . . . 0.0 112.006 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.2 m -66.99 -24.83 66.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.587 -179.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.8 mt -73.57 -18.88 61.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.531 -179.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 56.11 45.58 23.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.452 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.6 mt -41.27 154.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.598 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.504 ' C ' ' H ' ' A' ' 87' ' ' ALA . 9.2 m-20 -116.69 85.03 16.22 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.508 179.913 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -49.84 -7.88 0.1 Allowed 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.331 2.021 . . . . 0.0 112.277 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.504 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -52.2 -17.28 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.477 179.875 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -139.83 -175.17 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.477 179.899 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.0 mm -92.54 155.32 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.605 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -145.03 168.81 19.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.672 -179.88 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -147.63 109.96 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.357 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.72 125.87 62.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.537 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 54.8 m -128.47 128.45 44.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.344 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.503 ' CD1' ' N ' ' A' ' 94' ' ' TRP . 1.7 m0 -105.73 132.27 52.07 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.862 179.862 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -96.16 102.61 14.43 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 177.777 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.87 144.46 16.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.057 0.456 . . . . 0.0 112.051 -177.563 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 0.1 OUTLIER -96.94 -17.82 19.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.178 179.184 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 23.9 m95 -115.26 143.68 44.88 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.538 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.22 156.96 90.09 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -42.08 163.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.312 0 C-N-CA 122.253 1.968 . . . . 0.0 112.263 179.638 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.3 p -112.17 -52.09 2.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.142 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.52 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.2 OUTLIER -135.98 113.31 10.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.761 179.597 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 108' ' ' GLY . 2.3 m -43.66 -33.03 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.913 -179.683 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -84.52 -21.33 30.58 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.968 -179.747 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -86.15 -63.79 1.5 Allowed Glycine 0 CA--C 1.527 0.797 0 C-N-CA 120.394 -0.908 . . . . 0.0 110.965 179.847 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.3 m -79.2 -69.23 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.724 0.297 . . . . 0.0 111.053 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.48 -24.47 55.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.534 -179.746 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -67.87 -58.95 6.94 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 179.653 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -60.12 -22.08 62.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.879 0.371 . . . . 0.0 110.488 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 57.3 t -71.03 -62.83 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.791 -179.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.557 ' NH2' ' CE ' ' A' ' 142' ' ' MET . 3.5 ptp180 -58.01 -38.04 75.42 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.215 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -53.36 -49.4 67.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.37 179.767 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 117' ' ' ASN . 1.3 t80 -55.41 -53.28 58.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.607 179.897 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.42 ' CD2' ' O ' ' A' ' 120' ' ' VAL . 86.7 mt -58.88 -48.97 79.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.716 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -46.56 -35.75 6.12 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.345 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.417 ' O ' ' OD1' ' A' ' 117' ' ' ASN . 22.7 mt-10 -110.17 5.2 21.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.13 -179.882 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.499 ' C ' ' H ' ' A' ' 119' ' ' HIS . 28.6 m-80 -153.65 46.56 0.64 Allowed 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.952 -179.883 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 76.5 p -51.43 -10.59 0.1 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.713 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.502 ' O ' ' CG ' ' A' ' 119' ' ' HIS . 0.1 OUTLIER -79.91 9.91 4.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.619 -179.919 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.42 ' O ' ' CD2' ' A' ' 114' ' ' LEU . 74.2 t -126.9 129.54 71.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.481 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.492 ' CZ ' HH22 ' A' ' 123' ' ' ARG . 25.6 mtp180 -92.14 112.68 24.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.424 179.892 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.27 134.02 42.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.456 -179.795 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.492 HH22 ' CZ ' ' A' ' 121' ' ' ARG . 45.5 mtt-85 -131.84 133.14 44.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.567 179.899 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 28.5 mm -106.04 121.56 58.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.454 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -110.61 97.84 7.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.552 -179.821 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -90.34 108.24 19.65 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.181 179.675 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -84.58 -44.16 13.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.769 -179.673 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.621 HH11 ' N ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -132.31 138.82 47.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.866 0.365 . . . . 0.0 110.482 -179.917 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.3 mt -98.63 117.43 43.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.659 -179.893 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -157.59 118.86 3.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.483 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.3 -167.74 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.491 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -104.9 -63.01 1.26 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.614 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.511 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -99.69 162.6 20.62 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.434 -179.857 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -69.92 21.18 0.18 Allowed 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.599 2.199 . . . . 0.0 112.15 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.511 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.3 mt -57.07 -25.32 58.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.553 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.462 ' CD1' ' N ' ' A' ' 137' ' ' LYS . 0.6 OUTLIER -56.3 -20.61 19.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.516 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.462 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 16.5 tttm -67.47 -60.21 2.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.449 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.03 -30.51 62.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.494 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.24 -56.06 24.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.526 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.9 mp -51.17 -44.73 61.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.494 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -60.71 3.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.666 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.557 ' CE ' ' NH2' ' A' ' 111' ' ' ARG . 13.3 mtp -54.7 -26.23 32.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.543 -179.901 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.57 -60.85 3.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.473 179.769 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -55.82 -42.19 75.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.614 -179.891 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.35 -6.25 13.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.592 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . 0.407 ' C ' ' H ' ' A' ' 148' ' ' ALA . . . -102.2 -4.68 25.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.587 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.33 -12.29 10.32 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . 0.407 ' H ' ' C ' ' A' ' 146' ' ' ALA . . . -56.79 161.68 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.848 0.356 . . . . 0.0 110.572 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . 0.471 ' OE1' ' NH1' ' A' ' 123' ' ' ARG . 3.0 tt0 -101.29 112.75 25.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.589 -179.932 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . 0.4 ' O ' ' CG1' ' A' ' 150' ' ' VAL . 8.0 p -111.46 125.38 68.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.544 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.5 m -153.18 161.92 41.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.593 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 3.5 mm -94.74 150.76 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.462 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 11.0 ttm -52.14 152.36 3.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.75 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 12.2 t -136.27 -177.65 4.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.557 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -73.94 -41.53 61.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.778 -179.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.97 -60.92 2.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.827 -179.88 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.09 -25.16 44.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.62 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.555 ' CE1' ' CZ ' ' A' ' 173' ' ' PHE . 0.2 OUTLIER -64.02 -57.96 8.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.805 0.336 . . . . 0.0 110.658 -179.755 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -53.92 -45.82 71.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.093 -179.855 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . 0.538 ' CD2' ' N ' ' A' ' 161' ' ' CYS . 0.3 OUTLIER -68.79 -58.19 4.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.786 0.326 . . . . 0.0 110.867 -179.595 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.538 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 18.0 t -55.61 -23.6 28.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.761 -179.872 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 162' ' ' TRP . . . . . 0.59 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 8.0 t-105 -71.69 -70.51 0.32 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.924 -179.666 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . 0.59 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 1.0 OUTLIER -62.85 -14.35 44.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.248 -179.472 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 90.3 m -84.79 -25.25 28.3 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.962 -179.709 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -121.3 19.34 11.43 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.882 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.546 ' C ' ' H ' ' A' ' 168' ' ' HIS . 96.3 t -142.7 135.5 26.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.896 0.379 . . . . 0.0 110.785 179.855 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . 0.508 ' C ' ' H ' ' A' ' 169' ' ' GLN . 4.0 p30 -73.94 38.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.731 179.519 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.647 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.2 OUTLIER -47.69 -13.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.334 -179.982 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . 0.508 ' H ' ' C ' ' A' ' 167' ' ' ASP . 14.7 mm-40 46.01 12.69 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.976 179.74 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . 0.647 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 124.67 29.63 1.04 Allowed Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 179.588 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . 0.642 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.0 OUTLIER -113.4 92.28 22.64 Favored Pre-proline 0 CA--C 1.538 0.498 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.689 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -47.96 154.02 2.37 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.157 1.905 . . . . 0.0 112.275 -179.479 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . 0.555 ' CZ ' ' CE1' ' A' ' 158' ' ' PHE . 37.6 t80 -55.82 149.58 14.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.735 -179.726 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -111.71 96.35 32.37 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.691 -179.605 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -78.63 145.16 20.34 Favored 'Trans proline' 0 N--CA 1.487 1.143 0 C-N-CA 121.906 1.737 . . . . 0.0 112.042 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 176' ' ' TRP . . . . . 0.674 ' HE1' ' CD2' ' A' ' 182' ' ' HIS . 0.9 OUTLIER -81.28 179.07 8.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.53 -179.848 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . 0.45 ' N ' ' OD1' ' A' ' 177' ' ' ASP . 30.7 p-10 -92.5 85.68 5.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.653 -179.892 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 144.48 40.56 0.06 OUTLIER Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . 0.42 ' O ' ' OG ' ' A' ' 183' ' ' SER . 0.8 OUTLIER -70.73 -50.47 35.81 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.829 -179.425 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -61.62 -24.08 66.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.391 . . . . 0.0 110.462 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -70.02 -61.78 1.64 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.977 -179.88 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 182' ' ' HIS . . . . . 0.674 ' CD2' ' HE1' ' A' ' 176' ' ' TRP . 3.8 p80 -71.51 -37.35 71.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.92 -179.598 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 183' ' ' SER . . . . . 0.553 ' N ' ' ND1' ' A' ' 182' ' ' HIS . 36.8 m -61.88 -57.7 10.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.6 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -33.63 67.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.509 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -54.43 -57.61 10.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.497 179.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 40.3 mt -65.43 -47.32 76.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.651 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.13 -39.12 63.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.647 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -63.46 -48.17 80.73 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -52.32 -57.46 9.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 0.0 110.585 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -45.18 -55.2 6.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.428 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -50.95 -31.74 18.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.477 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -65.38 -40.12 93.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.545 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.7 mp -68.98 -37.56 77.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.542 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 60.2 mt . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.641 -179.965 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.455 ' CD2' ' N ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.89 0.376 . . . . 0.0 110.582 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.5 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 7.0 mp -95.2 172.99 7.78 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.228 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -68.66 147.01 52.49 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.459 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.7 OUTLIER -70.36 146.73 94.62 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.556 -179.487 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.431 ' O ' ' OG1' ' A' ' 19' ' ' THR . 85.7 Cg_exo -39.41 -49.09 3.2 Favored 'Trans proline' 0 N--CA 1.488 1.202 0 C-N-CA 122.251 1.967 . . . . 0.0 111.992 179.575 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -67.86 -47.91 67.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.043 -179.689 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.3 mm -54.53 -37.72 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.695 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -72.19 -60.96 1.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.734 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.7 OUTLIER -54.81 -28.63 50.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.53 -179.953 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 m -65.79 -52.36 51.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.44 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.55 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 18.8 m120 -57.1 -39.79 75.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.533 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -98.96 31.13 3.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.691 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -71.61 71.64 0.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.447 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 42.21 -137.79 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.429 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.73 137.92 17.42 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.866 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.621 ' CD1' ' HE1' ' A' ' 98' ' ' TRP . 0.7 OUTLIER -136.03 166.91 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 0.0 110.58 -179.865 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -99.59 -29.57 6.93 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 179.809 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.716 ' HE ' ' N ' ' A' ' 29' ' ' HIS . 0.0 OUTLIER -73.35 131.6 42.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 0.0 110.123 179.775 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.716 ' N ' ' HE ' ' A' ' 28' ' ' ARG . 47.4 p-80 -71.65 44.08 0.1 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.339 179.719 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' A' ' 28' ' ' ARG . 8.2 tttm -71.46 41.78 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.244 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.529 ' H ' ' C ' ' A' ' 29' ' ' HIS . 2.2 p -46.99 114.71 0.9 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.62 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.55 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -106.02 141.9 36.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.39 179.856 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.8 tp -135.58 109.63 8.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.522 -179.489 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.68 113.59 27.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.143 179.423 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 16.6 p90 -102.17 146.81 27.43 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.945 0.403 . . . . 0.0 111.236 -179.495 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.423 ' O ' ' OE2' ' A' ' 38' ' ' GLU . 0.2 OUTLIER -146.72 129.76 16.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.35 179.939 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.6 t -98.57 132.72 43.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-O 121.034 0.445 . . . . 0.0 110.626 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.496 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 0.9 OUTLIER -134.39 121.23 20.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.362 179.799 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -82.79 141.39 32.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.492 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mp -102.04 143.1 32.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.606 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.51 100.77 3.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.611 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.513 ' C ' ' H ' ' A' ' 44' ' ' THR . 11.0 m120 48.14 57.45 6.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.655 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.79 -27.07 0.93 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.513 ' H ' ' C ' ' A' ' 42' ' ' ASN . 0.2 OUTLIER -74.51 103.76 4.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.824 0.345 . . . . 0.0 110.585 -179.959 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.2 m -76.24 143.59 40.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.505 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.1 t -136.27 98.44 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.575 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.4 pttm -75.08 135.13 41.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.493 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.3 mmt -82.33 144.61 30.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.551 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -84.39 -50.52 7.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.684 -179.9 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.62 68.96 4.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.951 179.578 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.409 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 11.5 t-80 -163.88 14.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.513 -179.213 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -100.6 127.96 46.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.642 -179.701 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -148.41 158.21 27.59 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.533 -1.027 . . . . 0.0 110.533 179.839 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.527 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 4.1 p90 -140.65 142.14 35.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.93 0.395 . . . . 0.0 110.846 -179.756 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.2 mt -127.91 178.49 6.14 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.511 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -144.15 155.72 44.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.4 179.859 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.9 t30 . . . . . 0 C--N 1.332 -0.192 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.45 179.956 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.2 m80 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.785 0.326 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.19 -27.24 13.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.404 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.434 ' OE2' ' SG ' ' A' ' 106' ' ' CYS . 39.3 mt-10 -63.75 -43.09 97.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.314 179.893 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 39.4 mt -66.69 -57.07 7.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.252 179.698 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -27.22 10.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.163 179.61 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.456 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 31.3 t80 -84.6 -40.16 17.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.379 179.784 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 tp -57.67 -21.1 38.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.472 179.832 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.04 -20.89 37.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.448 179.913 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.442 ' CD2' ' C ' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -84.17 -33.65 24.16 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.2 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.407 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 4.6 t -46.17 -59.75 4.46 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.31 -179.836 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.407 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 6.5 Cg_endo -49.75 -17.07 1.79 Allowed 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 121.89 1.727 . . . . 0.0 112.229 179.803 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 t -69.73 -30.42 68.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.569 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.423 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 3.9 mm? -83.77 -39.4 20.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.471 179.695 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 58.45 41.01 23.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.702 -178.806 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.4 mt -38.66 107.23 0.06 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.52 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -41.61 105.28 0.39 Allowed Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.643 -179.711 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -48.11 -19.97 1.95 Allowed 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 121.829 1.686 . . . . 0.0 112.101 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.55 -88.73 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.644 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.535 ' H ' ' CD ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -63.58 167.5 5.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.437 -179.86 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.2 mm -84.95 158.13 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.507 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -139.62 177.97 7.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.759 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.496 ' NH1' ' OE1' ' A' ' 38' ' ' GLU . 41.7 ttp85 -156.86 108.81 2.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.527 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.4 t -93.61 118.65 39.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.138 179.565 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.416 ' OG1' ' OE1' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -93.95 122.16 36.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.557 -179.766 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.424 ' CH2' ' CG2' ' A' ' 110' ' ' VAL . 7.2 m0 -106.79 132.26 52.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.707 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.587 ' CG ' ' SG ' ' A' ' 161' ' ' CYS . 53.3 m-85 -125.92 103.14 7.6 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.614 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.37 143.7 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.776 -178.416 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.4 p -96.98 -33.69 11.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.099 179.388 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.621 ' HE1' ' CD1' ' A' ' 26' ' ' ILE . 7.6 m95 -111.85 136.66 50.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.265 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.03 157.7 1.37 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.916 -179.768 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.34 173.18 14.18 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 122.668 2.246 . . . . 0.0 112.215 179.5 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.629 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 1.8 p -103.49 -153.98 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.452 179.877 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.629 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.2 OUTLIER -36.88 113.02 0.22 Allowed 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.407 0.623 . . . . 0.0 109.932 179.466 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 108' ' ' GLY . 83.9 p -40.24 -24.9 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.907 -179.783 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.47 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.2 OUTLIER -86.1 -24.9 26.09 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.973 -179.109 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.4 -63.73 1.55 Allowed Glycine 0 CA--C 1.526 0.77 0 C-N-CA 120.32 -0.943 . . . . 0.0 110.874 -179.866 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . 0.434 ' SG ' ' OE2' ' A' ' 72' ' ' GLU . 2.1 m -78.87 -69.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.37 . . . . 0.0 111.052 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.26 -22.4 63.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 -179.693 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -71.43 -63.05 3.21 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -46.97 -35.25 6.35 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.716 179.599 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.424 ' CG2' ' CH2' ' A' ' 94' ' ' TRP . 29.3 t -72.83 -56.22 10.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.325 179.522 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -49.09 -53.34 21.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.064 179.813 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.84 -42.07 64.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.135 179.682 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 117' ' ' ASN . 27.8 t80 -65.58 -32.61 74.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.693 179.859 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 mt -71.68 -58.91 3.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.728 -179.837 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -13.57 48.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.643 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -103.21 -26.74 12.87 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.658 179.718 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.552 ' C ' ' H ' ' A' ' 119' ' ' HIS . 4.2 m120 -138.11 49.47 1.94 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.865 -179.867 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.2 t -60.95 4.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.31 -179.761 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.552 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.1 OUTLIER -75.58 2.04 12.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.012 0.434 . . . . 0.0 110.16 179.8 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.7 p -128.86 147.36 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.251 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.03 110.44 21.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.359 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.07 112.18 24.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.5 -179.801 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 23.5 mtt-85 -116.21 117.69 30.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.03 179.679 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 5.0 mt -105.19 135.94 41.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.078 -179.368 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -129.13 98.12 4.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.718 179.561 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -82.37 114.84 21.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.985 179.571 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -82.44 -37.41 25.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.687 -179.737 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.67 145.77 32.71 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.95 179.877 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.6 mt -101.54 110.17 27.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.41 179.833 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -154.96 114.7 3.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.709 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -152.92 -147.04 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.367 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -106.8 -64.38 1.19 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.65 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.493 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.2 OUTLIER -104.0 161.35 23.2 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.463 -179.91 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.525 ' C ' ' H ' ' A' ' 136' ' ' TYR . 41.4 Cg_endo -70.2 17.8 0.22 Allowed 'Trans proline' 0 C--N 1.31 -1.492 0 C-N-CA 122.559 2.172 . . . . 0.0 111.9 179.835 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.493 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.3 mt -53.97 -7.41 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.625 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.525 ' H ' ' C ' ' A' ' 134' ' ' PRO . 0.5 OUTLIER -61.13 -32.04 71.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.659 179.924 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -70.28 -62.13 1.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.518 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -50.12 -23.62 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.348 179.868 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -75.02 -43.49 53.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.424 179.78 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.31 -30.74 68.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.254 179.74 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.72 -56.27 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.664 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -31.57 66.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.607 -179.852 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 40.7 tp -82.09 -40.94 21.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.468 -179.853 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.32 -38.31 58.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.518 179.898 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -64.33 -8.2 12.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.559 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -95.31 -13.45 24.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.623 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 97.7 -26.96 21.03 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -42.16 139.43 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.67 0.271 . . . . 0.0 110.637 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -93.68 112.64 24.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.638 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.34 109.88 30.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.554 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.69 161.91 36.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.554 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . 0.483 ' CD1' ' N ' ' A' ' 152' ' ' ILE . 1.5 mp -82.21 137.9 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.462 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 22.5 mmm -41.42 125.26 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.7 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 67.4 p -106.78 152.87 23.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.562 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -41.79 -54.15 3.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.507 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.04 -60.14 3.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.506 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -53.17 -31.17 41.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.539 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.86 -61.37 2.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.516 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -42.27 -47.8 4.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.103 -179.799 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . 0.598 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.58 -58.02 4.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.192 -179.432 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.598 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 7.9 t -54.23 -23.54 15.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.639 -179.78 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 162' ' ' TRP . . . . . 0.634 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 4.1 t-105 -72.09 -70.15 0.35 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.552 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . 0.634 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.6 OUTLIER -61.48 -36.28 80.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.889 0.376 . . . . 0.0 110.782 -179.736 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 94.3 m -59.18 -27.04 65.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.268 -179.586 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -121.34 15.69 11.35 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.533 -179.374 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.545 ' C ' ' H ' ' A' ' 168' ' ' HIS . 63.2 t -130.05 138.98 52.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.894 0.378 . . . . 0.0 111.002 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -76.78 34.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.173 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.592 ' CD2' ' N ' ' A' ' 169' ' ' GLN . 21.1 p-80 -37.48 -44.04 0.63 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.547 -179.805 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . 0.592 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 8.9 mm100 40.58 21.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.923 179.881 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 168' ' ' HIS . . . 136.63 14.31 0.91 Allowed Glycine 0 CA--C 1.528 0.887 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.706 179.706 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 1.2 m -125.26 81.05 64.12 Favored Pre-proline 0 C--N 1.332 -0.174 0 CA-C-O 120.697 0.284 . . . . 0.0 110.297 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -51.83 172.33 0.14 Allowed 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.712 2.275 . . . . 0.0 112.316 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -53.51 149.74 7.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.747 -179.881 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -113.96 87.13 12.22 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.717 -179.709 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -79.65 131.34 9.25 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 C-N-CA 122.096 1.864 . . . . 0.0 112.051 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 14.8 p90 -100.88 173.69 6.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.6 -179.875 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -77.0 93.0 3.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.519 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 148.15 -18.12 1.36 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.6 tp -47.0 -35.01 6.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 110.556 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -59.36 2.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.535 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -46.32 -53.53 10.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.648 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -55.9 -47.41 77.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.599 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.62 -36.95 72.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.589 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -68.58 -34.15 75.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.633 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -62.8 -65.21 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.593 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . 0.434 ' N ' ' CD1' ' A' ' 186' ' ' LEU . 10.4 mp -56.14 -45.6 79.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.568 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 49.0 m -55.85 -39.25 71.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.466 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -63.21 -36.65 93.71 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 10.2 ttt85 -60.23 -61.65 2.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.332 . . . . 0.0 110.496 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.7 tt -47.28 -47.38 25.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.563 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -50.7 -42.26 56.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.593 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -59.19 -52.0 67.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . 0.407 ' N ' ' CD1' ' A' ' 193' ' ' ILE . 1.7 mp -53.97 -49.89 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.446 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.564 -179.986 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.506 ' CD2' ' N ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.813 0.34 . . . . 0.0 110.558 . . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.634 ' CD2' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -106.05 175.24 5.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.778 -179.754 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 35.6 mtm -60.5 165.32 3.8 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.54 -179.154 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.48 155.6 51.13 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.706 -179.381 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.428 ' O ' ' OG1' ' A' ' 19' ' ' THR . 74.1 Cg_exo -39.73 -55.54 1.63 Allowed 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 122.576 2.184 . . . . 0.0 112.435 179.704 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -62.79 -54.31 40.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.272 -179.474 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.3 mm -48.5 -29.94 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.631 -179.565 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -81.1 -57.73 3.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.693 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.514 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -51.33 -49.1 62.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.495 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -63.86 -43.65 95.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.514 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.588 HD22 ' CB ' ' A' ' 32' ' ' TYR . 16.5 t30 -64.44 -23.61 67.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.506 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -118.5 15.33 13.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.421 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.514 ' N ' ' O ' ' A' ' 19' ' ' THR . 0.7 OUTLIER -56.64 108.17 0.46 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.657 -179.952 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -43.97 137.45 3.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.608 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.27 96.74 0.09 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 pt -140.31 171.59 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 110.595 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -158.95 61.54 0.31 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.526 ' O ' ' CZ2' ' A' ' 98' ' ' TRP . 0.1 OUTLIER -140.37 152.42 45.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.521 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -91.07 81.02 5.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.434 179.903 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.3 tttm -167.03 42.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.513 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.449 ' OG1' ' CD1' ' A' ' 98' ' ' TRP . 10.9 t -46.5 150.97 0.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.993 -179.837 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.588 ' CB ' HD22 ' A' ' 21' ' ' ASN . 1.2 m-85 -108.05 147.46 31.13 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.422 179.722 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.425 ' C ' ' CD2' ' A' ' 33' ' ' LEU . 5.6 tt -136.84 114.33 10.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.493 -179.889 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.32 110.46 22.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.229 179.59 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.56 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 5.7 p90 -101.08 134.41 44.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.065 -179.722 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 1.8 tm-20 -123.51 152.86 41.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.057 179.855 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.422 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 30.2 t -119.4 123.21 70.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.871 0.367 . . . . 0.0 110.767 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.43 ' CD ' ' HG1' ' A' ' 93' ' ' THR . 2.8 mp0 -133.39 121.89 22.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.425 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -98.11 144.84 27.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.61 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.8 mt -93.98 156.88 16.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.577 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -155.83 101.63 2.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.497 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 62.71 23.37 13.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.547 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 99.39 -6.85 59.58 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.5 m -91.61 124.38 35.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.763 0.316 . . . . 0.0 110.613 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.418 ' O ' ' OG ' ' A' ' 45' ' ' SER . 1.4 p -89.13 110.32 21.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.55 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 57.6 t -105.02 112.14 37.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.599 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -86.71 134.94 33.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.6 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.2 mtm -101.96 141.09 35.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.529 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.8 -50.28 6.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.574 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -79.25 53.25 1.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.449 179.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -169.18 46.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.528 -179.873 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.44 170.84 21.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.689 -179.882 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -173.3 -170.8 37.29 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.826 -0.909 . . . . 0.0 110.826 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -151.97 139.66 19.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.808 0.337 . . . . 0.0 110.729 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mp -136.15 174.23 10.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.529 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.567 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -131.05 157.63 42.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.483 179.898 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.545 -179.912 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 30.7 m170 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.853 0.359 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.02 -37.96 25.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.572 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -61.48 -42.32 98.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.584 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.0 mp -62.05 -60.01 4.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.221 179.8 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.92 -28.14 6.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.977 179.652 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.56 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 17.3 t80 -80.74 -38.23 29.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.323 179.757 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.1 tp -57.66 -22.88 48.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.007 179.678 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -67.25 -16.07 64.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.686 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.9 tt -93.72 -13.4 27.5 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.56 -178.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.542 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -60.22 -42.87 91.82 Favored Pre-proline 0 CA--C 1.533 0.307 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.256 -179.105 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 23.5 Cg_exo -60.31 -25.73 80.95 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.215 1.943 . . . . 0.0 112.031 179.811 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.73 -9.16 41.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.819 -179.931 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.5 mt -104.39 -49.56 3.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.481 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.5 49.76 8.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.722 179.752 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 53.6 mt -53.66 133.24 41.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.488 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.75 160.35 27.56 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.397 -179.818 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -70.08 -2.07 9.79 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.533 2.156 . . . . 0.0 112.269 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.61 -37.99 1.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.588 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -151.98 -166.91 2.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.592 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.4 mt -99.55 155.98 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.062 0.458 . . . . 0.0 110.796 -179.859 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -137.01 154.06 50.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.726 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -142.66 106.06 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.65 -179.872 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.7 t -89.1 127.17 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.049 179.568 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.43 ' HG1' ' CD ' ' A' ' 38' ' ' GLU . 0.9 OUTLIER -100.0 119.23 37.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.794 -179.715 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 16.4 m0 -100.35 131.71 46.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.057 0.456 . . . . 0.0 110.535 179.891 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.407 ' CG ' ' SG ' ' A' ' 161' ' ' CYS . 53.0 m-85 -123.38 103.11 8.28 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.638 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.32 142.23 23.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.673 -178.343 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 0.3 OUTLIER -87.94 -24.21 23.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.698 179.105 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.526 ' CZ2' ' O ' ' A' ' 28' ' ' ARG . 19.4 m95 -112.24 -178.32 3.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.191 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -105.97 164.4 15.06 Favored Pre-proline 0 C--N 1.332 -0.178 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.548 179.95 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.43 ' O ' ' O ' ' A' ' 99' ' ' SER . 57.0 Cg_exo -42.45 172.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 122.605 2.203 . . . . 0.0 112.3 179.601 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -126.08 -50.95 1.55 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.402 179.837 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 105' ' ' GLY . 2.1 t80 -139.36 105.49 5.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.118 179.656 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 36.8 t -42.08 -33.71 0.62 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.974 -179.578 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -84.78 -22.99 29.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.102 -179.612 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -84.76 -62.2 1.71 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -67.04 0.54 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.714 0.292 . . . . 0.0 110.743 -179.883 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.27 -29.19 31.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.694 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.49 -60.97 7.6 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 105' ' ' GLY . 2.0 mp0 -51.98 -59.75 3.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.836 0.351 . . . . 0.0 110.576 -179.932 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 40.7 t -52.46 -55.6 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.675 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 53.2 ttt-85 -42.33 -59.07 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.573 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -44.94 -47.03 11.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.553 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 117' ' ' ASN . 1.1 t80 -55.54 -62.36 1.73 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.604 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 62.9 mt -46.37 -50.24 16.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.741 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -46.66 -43.42 17.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.688 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.13 16.92 21.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.921 -179.888 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' A' ' 113' ' ' PHE . 29.2 m120 -148.22 31.1 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.803 179.878 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.412 ' C ' ' H ' ' A' ' 120' ' ' VAL . 0.0 OUTLIER -45.68 -22.93 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.607 -179.944 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.524 ' O ' ' CG ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -76.23 8.91 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.991 0.424 . . . . 0.0 110.38 179.812 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.482 ' N ' ' O ' ' A' ' 117' ' ' ASN . 43.1 t -132.09 116.43 29.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.428 179.833 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.3 147.07 23.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.549 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.38 112.59 13.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.979 -179.701 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.402 ' CD ' ' N ' ' A' ' 123' ' ' ARG . 0.1 OUTLIER -95.61 123.2 39.05 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.241 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.411 ' N ' ' CD1' ' A' ' 124' ' ' ILE . 1.6 mp -104.92 129.03 58.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.828 -179.29 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.52 ' CE1' ' OE1' ' A' ' 157' ' ' GLU . 64.8 m-85 -125.37 108.13 11.37 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.907 179.783 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -93.79 109.49 21.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.077 179.418 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.53 ' O ' ' NH2' ' A' ' 128' ' ' ARG . . . -76.97 -54.21 6.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.042 -179.562 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.599 ' CA ' ' HE ' ' A' ' 128' ' ' ARG . 0.0 OUTLIER -118.87 164.37 15.53 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.882 0.372 . . . . 0.0 110.73 -179.881 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 18.1 mt -137.89 112.68 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.613 -179.88 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -151.95 110.08 3.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.632 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.426 ' OD2' ' O ' ' A' ' 133' ' ' ASP . 12.4 p-10 -172.36 142.3 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.591 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -80.41 10.17 4.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.477 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.538 ' C ' ' H ' ' A' ' 135' ' ' LEU . 1.0 OUTLIER -121.07 81.93 36.44 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.497 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.524 ' O ' ' N ' ' A' ' 136' ' ' TYR . 52.0 Cg_exo -51.45 -4.76 0.1 OUTLIER 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 122.502 2.135 . . . . 0.0 112.325 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.538 ' H ' ' C ' ' A' ' 133' ' ' ASP . 2.6 mt -40.43 -22.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.677 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' A' ' 134' ' ' PRO . 0.0 OUTLIER -42.99 -33.45 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.584 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -56.06 -62.13 1.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.455 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -50.92 -32.67 21.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.275 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.47 -41.0 93.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.431 179.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.72 -47.1 83.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.413 179.78 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.98 -41.39 64.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.542 179.89 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.0 -31.41 71.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.461 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.9 mt -69.68 -56.94 5.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.634 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 16.3 mtp85 -45.16 -50.59 11.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.577 -179.833 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -52.88 -33.25 49.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.583 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.84 -17.92 60.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.613 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 100.42 -23.66 35.01 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -52.62 155.98 2.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.331 . . . . 0.0 110.668 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -98.9 135.81 39.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.496 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 3.2 t -126.77 123.56 63.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.589 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.15 162.01 41.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.581 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 3.3 mm -89.8 134.06 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.495 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.551 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 9.3 ttt -54.32 118.73 4.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.603 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 29.5 p -102.02 163.81 12.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.67 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -47.08 -47.99 22.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.644 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -53.32 -56.84 13.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.513 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . 0.52 ' OE1' ' CE1' ' A' ' 125' ' ' PHE . 22.4 mt-10 -54.29 -35.23 62.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.562 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.551 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.7 OUTLIER -63.82 -39.93 95.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.526 179.916 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -59.0 -49.59 77.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . 0.523 ' CD2' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.63 -51.15 37.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.508 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.523 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 7.4 t -58.71 -23.53 59.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.682 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 162' ' ' TRP . . . . . 0.63 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 3.6 t-105 -72.46 -68.21 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.684 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . 0.63 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 1.3 p30 -64.34 -14.15 54.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.268 -179.465 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 99.9 m -86.61 -24.36 25.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.422 -179.396 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -121.08 15.96 11.58 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.551 0.215 . . . . 0.0 111.202 -179.588 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.563 ' C ' ' H ' ' A' ' 168' ' ' HIS . 92.1 t -134.46 127.47 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.748 179.44 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . 0.53 ' C ' ' H ' ' A' ' 169' ' ' GLN . 14.2 t70 -70.21 41.97 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.896 179.102 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.571 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.4 OUTLIER -54.12 -8.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.224 -179.953 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . 0.53 ' H ' ' C ' ' A' ' 167' ' ' ASP . 2.6 mt-30 56.9 3.64 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.821 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . 0.571 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 124.52 28.3 1.2 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 179.681 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . 0.507 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.0 OUTLIER -109.64 127.71 26.69 Favored Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.764 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -75.96 171.99 17.12 Favored 'Trans proline' 0 N--CA 1.493 1.47 0 C-N-CA 121.802 1.668 . . . . 0.0 112.162 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . 0.5 ' O ' ' CD2' ' A' ' 173' ' ' PHE . 0.4 OUTLIER -126.45 116.71 21.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.423 179.867 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . 0.402 ' O ' ' CE1' ' A' ' 173' ' ' PHE . 12.3 mm-40 -82.77 152.73 66.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.23 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.13 155.78 63.93 Favored 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 122.142 1.895 . . . . 0.0 112.081 179.903 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 176' ' ' TRP . . . . . 0.462 ' O ' ' N ' ' A' ' 178' ' ' GLY . 14.8 p90 -100.0 142.8 30.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.552 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -49.59 91.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.533 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 176' ' ' TRP . . . 156.66 -35.46 0.58 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -42.7 -43.28 3.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 110.514 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -55.38 -57.05 13.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.536 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -65.41 -60.64 2.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.488 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -44.37 -43.74 7.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.524 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 27.3 t -55.99 -51.55 67.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.67 -30.02 67.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.507 179.914 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -75.15 -64.91 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.511 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 4.0 mt -57.55 -59.99 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.498 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 3.6 t -52.9 -53.06 54.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.443 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -54.05 -25.66 32.26 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -68.87 -61.58 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 110.502 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.7 tp -55.47 -21.7 17.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.567 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -76.91 -40.02 48.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.609 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -68.21 -55.14 13.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.514 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . 0.419 ' CG2' ' N ' ' A' ' 194' ' ' LEU . 5.9 tt -56.99 -39.22 64.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.547 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . 0.419 ' N ' ' CG2' ' A' ' 193' ' ' ILE . 1.8 tp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.535 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.837 0.351 . . . . 0.0 110.695 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.506 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 6.9 mp -94.69 168.8 10.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.247 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.2 mtm -63.29 132.91 53.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.106 179.555 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.63 144.0 66.37 Favored Pre-proline 0 CA--C 1.536 0.412 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.43 -179.428 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.401 ' O ' ' OG1' ' A' ' 19' ' ' THR . 72.1 Cg_exo -40.42 -55.13 2.0 Allowed 'Trans proline' 0 N--CA 1.491 1.354 0 C-N-CA 122.151 1.901 . . . . 0.0 112.284 179.684 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -58.57 -50.98 71.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.997 -179.561 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.3 mm -48.93 -55.33 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.679 -179.754 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 28.7 t80 -51.23 -57.68 8.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.618 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -55.35 -64.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.73 -179.729 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.516 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -46.44 -28.04 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.749 -179.843 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.429 ' OD1' ' CD1' ' A' ' 32' ' ' TYR . 2.9 t30 -83.19 -36.18 24.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.616 -179.901 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -100.76 16.76 23.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.618 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.673 ' H ' HD21 ' A' ' 23' ' ' ASN . 0.0 OUTLIER -63.6 101.15 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.556 179.915 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -41.35 132.48 2.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.587 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.43 25.89 7.15 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.08 177.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.809 0.337 . . . . 0.0 110.611 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.7 56.62 0.03 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.724 ' H ' ' HE ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -155.64 150.11 26.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.647 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -56.58 82.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.538 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 28' ' ' ARG . 1.9 ttpt -157.1 26.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.589 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.452 ' OG1' ' ND2' ' A' ' 57' ' ' ASN . 11.1 p -47.16 135.38 10.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.76 -179.905 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.429 ' CD1' ' OD1' ' A' ' 21' ' ' ASN . 2.7 m-85 -108.56 144.97 35.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.668 179.878 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.0 tp -139.73 112.19 7.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.326 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.39 122.92 47.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.293 179.635 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.495 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 14.7 p90 -113.05 137.7 51.03 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.805 -179.653 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -123.11 154.95 37.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.473 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -127.63 122.03 58.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 179.862 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.427 ' OE2' ' O ' ' A' ' 39' ' ' ARG . 3.1 tm-20 -131.55 132.59 44.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.351 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.427 ' O ' ' OE2' ' A' ' 38' ' ' GLU . 55.5 ttp180 -87.94 132.7 34.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.716 -179.729 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mp -88.42 122.71 32.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.426 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.69 106.13 5.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.608 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.516 ' C ' ' H ' ' A' ' 44' ' ' THR . 88.8 m-20 49.16 52.12 14.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.69 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.17 -27.02 1.0 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.516 ' H ' ' C ' ' A' ' 42' ' ' ASN . 1.2 m -72.38 115.27 11.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.761 0.315 . . . . 0.0 110.461 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.92 111.27 23.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.46 ' CG2' ' O ' ' A' ' 46' ' ' VAL . 25.1 m -101.58 105.48 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.546 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -74.53 140.4 44.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.513 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.2 mmt -89.68 150.74 22.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.619 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -93.93 -50.15 5.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.547 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -103.1 76.33 1.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.458 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -171.52 -3.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.516 -179.879 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 -101.66 170.8 7.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.53 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -171.78 -178.46 42.12 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.502 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 8.1 p90 -152.14 146.18 25.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 0.0 110.749 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mp -133.67 178.41 6.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.458 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -146.5 147.23 30.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.706 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.668 ' ND2' ' H ' ' A' ' 71' ' ' ALA . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.636 -179.905 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.642 ' HE2' ' CD1' ' A' ' 73' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.87 0.366 . . . . 0.0 110.782 . . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.668 ' H ' ' ND2' ' A' ' 57' ' ' ASN . . . -64.24 -31.03 72.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.633 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.434 ' OE1' ' SG ' ' A' ' 101' ' ' CYS . 15.5 mt-10 -42.39 -37.87 1.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.071 -179.684 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.642 ' CD1' ' HE2' ' A' ' 70' ' ' HIS . 1.1 mt -64.92 -55.81 17.04 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.385 -179.761 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -44.18 -42.59 6.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.403 -179.912 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.495 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 56.2 t80 -58.37 -56.27 24.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.126 179.704 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -53.94 -19.92 5.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.37 179.533 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.14 -46.76 27.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.588 -179.357 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 pp -84.85 -9.12 58.45 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.873 -179.59 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.6 t -55.97 -55.91 36.24 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.234 179.746 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -61.45 -17.59 54.48 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 121.471 1.448 . . . . 0.0 111.913 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.4 p -64.86 -13.68 57.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.684 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.2 mt -82.37 -20.7 36.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.445 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.76 35.73 0.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 179.75 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.0 mt -60.22 149.55 32.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.379 179.848 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.01 162.71 52.55 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.571 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.85 -6.14 18.51 Favored 'Trans proline' 0 N--CA 1.493 1.5 0 C-N-CA 122.548 2.165 . . . . 0.0 112.008 179.832 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.01 -74.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.592 -179.854 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.534 ' NE2' ' N ' ' A' ' 88' ' ' GLN . 0.5 OUTLIER -106.77 167.4 9.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.557 179.959 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.3 mm -89.17 155.27 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.668 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -141.34 168.13 20.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.62 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -132.6 112.34 11.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.573 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.1 t -96.36 113.24 30.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.268 179.846 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.4 m -104.53 119.75 39.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.782 -179.819 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 27.6 m0 -100.61 131.07 46.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.002 0.43 . . . . 0.0 110.506 179.733 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.57 ' CD2' ' SG ' ' A' ' 161' ' ' CYS . 4.9 m-85 -118.58 103.14 9.44 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.308 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.42 140.94 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.76 -177.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.478 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 2.8 p -92.44 -22.79 19.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.93 179.106 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.604 ' HE1' HH21 ' A' ' 28' ' ' ARG . 12.8 m95 -111.05 152.41 26.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.488 -179.628 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.64 160.64 18.04 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.47 179.932 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -67.82 129.11 19.07 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.401 2.067 . . . . 0.0 112.175 179.788 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.541 ' O ' ' N ' ' A' ' 103' ' ' SER . 0.5 OUTLIER -79.79 -164.04 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.272 179.932 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.507 ' O ' ' N ' ' A' ' 104' ' ' TRP . 0.1 OUTLIER -40.24 91.91 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 121.464 0.65 . . . . 0.0 110.008 -179.829 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 101' ' ' CYS . 0.6 OUTLIER -39.42 -23.87 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.041 -179.403 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.507 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -69.11 -35.54 76.55 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.585 -178.742 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -71.24 -62.45 3.5 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 120.302 -0.952 . . . . 0.0 110.841 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.53 -68.44 0.62 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.521 0.201 . . . . 0.0 111.472 -179.628 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 103' ' ' SER . . . -49.08 -32.78 10.32 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.27 -179.213 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.34 -62.95 4.04 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -53.65 -34.27 58.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.978 0.418 . . . . 0.0 110.019 179.7 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 69.8 t -71.07 -46.34 67.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.217 179.563 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -49.75 -59.12 4.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.949 179.732 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.54 -40.7 62.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.106 179.614 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 117' ' ' ASN . 7.9 t80 -54.17 -56.07 21.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.305 179.731 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.7 mp -59.89 -48.95 79.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.429 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -46.7 -29.29 1.82 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.17 179.823 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -110.36 -9.29 14.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.994 -179.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.498 ' C ' ' H ' ' A' ' 119' ' ' HIS . 10.6 m120 -139.83 47.57 1.83 Allowed 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.008 -179.725 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.18 1.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.868 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.498 ' H ' ' C ' ' A' ' 117' ' ' ASN . 5.4 p80 -84.36 15.72 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.616 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 5.2 m -136.63 143.83 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.539 179.685 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.72 148.6 22.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.169 179.944 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.73 112.53 13.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.579 -179.664 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.494 ' NH1' ' OE1' ' A' ' 149' ' ' GLN . 4.5 mtm-85 -115.17 128.87 56.46 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.335 179.815 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 37.8 mm -105.76 125.39 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.967 -179.605 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -120.48 103.45 9.19 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.549 179.213 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -93.58 110.13 21.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.244 179.759 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.527 ' O ' ' NH2' ' A' ' 128' ' ' ARG . . . -80.86 -55.79 4.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.874 -179.722 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.609 ' CA ' ' HE ' ' A' ' 128' ' ' ARG . 0.0 OUTLIER -118.98 151.67 37.76 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.771 0.319 . . . . 0.0 110.517 -179.944 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 51.5 mt -114.13 109.1 27.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.607 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -142.42 115.45 8.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.507 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -169.06 158.21 8.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.605 -179.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.18 -24.04 32.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.522 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 135' ' ' LEU . 0.7 OUTLIER -135.02 73.31 66.04 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.389 179.942 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -49.82 77.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 123.002 2.468 . . . . 0.0 112.541 -179.85 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 133' ' ' ASP . 1.4 pp -93.22 4.83 53.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.385 179.747 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.512 ' CG ' ' N ' ' A' ' 137' ' ' LYS . 25.1 p90 -44.52 -46.18 9.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.564 -179.799 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.512 ' N ' ' CG ' ' A' ' 136' ' ' TYR . 0.8 OUTLIER -42.4 -42.81 3.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 0.0 110.182 179.82 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.07 -39.78 75.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.445 179.761 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.27 -45.24 94.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.538 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.7 mp -55.3 -55.03 36.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.494 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -64.9 -58.46 6.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.577 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -34.98 12.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.645 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 40.6 tp -81.43 -34.16 31.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.493 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . 0.4 ' C ' ' H ' ' A' ' 146' ' ' ALA . 12.1 ttp85 -51.62 -40.96 60.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.518 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -71.16 3.5 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.619 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . 0.4 ' H ' ' C ' ' A' ' 144' ' ' ARG . . . -99.36 -24.07 14.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.659 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 97.62 24.83 11.49 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -97.63 177.18 5.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.681 0.277 . . . . 0.0 110.582 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . 0.494 ' OE1' ' NH1' ' A' ' 123' ' ' ARG . 11.0 mt-30 -123.1 136.2 54.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.54 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 23.0 m -132.03 128.7 59.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.639 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.5 t -153.27 162.04 41.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.547 179.904 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.1 tp -88.29 142.45 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.438 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.586 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 35.4 ttm -44.2 151.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.575 -179.913 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 6.0 p -132.31 171.17 14.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.579 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -64.63 -53.55 45.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.666 -179.912 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -51.54 -49.16 62.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.501 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -61.13 -36.24 79.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.645 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.586 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.1 OUTLIER -56.87 -40.98 77.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.715 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.87 -42.71 80.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.825 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . 0.489 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.5 OUTLIER -67.49 -57.93 5.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.702 -179.913 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.57 ' SG ' ' CD2' ' A' ' 95' ' ' PHE . 1.2 t -56.32 -23.59 38.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.906 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 162' ' ' TRP . . . . . 0.621 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.4 t-105 -71.76 -70.42 0.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.939 -179.62 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . 0.621 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.2 OUTLIER -61.86 -14.4 33.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.277 -179.52 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 96.8 m -83.47 -28.22 28.9 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.21 -179.533 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -121.07 18.67 11.65 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.129 -179.619 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.574 ' C ' ' H ' ' A' ' 168' ' ' HIS . 74.9 t -130.58 145.65 35.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.951 179.665 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -73.27 35.48 0.08 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 178.701 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.718 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 1.1 t60 -43.38 -60.45 1.71 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.947 -179.849 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . 0.627 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 25.8 mt-30 42.67 15.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.08 179.633 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . 0.718 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 143.54 0.9 1.09 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 179.88 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . 0.62 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 0.9 OUTLIER -113.69 88.54 13.95 Favored Pre-proline 0 CA--C 1.533 0.295 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.797 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -78.59 143.92 19.43 Favored 'Trans proline' 0 C--N 1.314 -1.276 0 C-N-CA 122.074 1.849 . . . . 0.0 112.407 -179.205 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . 0.507 ' CE1' ' O ' ' A' ' 174' ' ' GLN . 1.1 t80 -86.07 125.85 33.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.622 -179.891 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . 0.507 ' O ' ' CE1' ' A' ' 173' ' ' PHE . 22.4 mt-30 -93.91 156.31 39.41 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -70.06 162.9 40.48 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.324 2.016 . . . . 0.0 112.127 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 176' ' ' TRP . . . . . 0.434 ' CD1' ' C ' ' A' ' 176' ' ' TRP . 12.3 p90 -120.5 152.93 37.36 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.41 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . 0.5 ' N ' ' OD1' ' A' ' 177' ' ' ASP . 0.8 OUTLIER -57.84 91.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.506 -179.942 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 139.27 -14.12 3.26 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.2 tt -54.11 -37.7 64.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.32 . . . . 0.0 110.585 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.94 -57.31 3.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.619 -179.89 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -50.41 -50.51 51.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.644 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -54.8 -62.97 1.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.628 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 3.4 m -49.07 -45.6 43.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.572 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -62.65 -31.61 72.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.621 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -70.32 -65.1 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.581 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 2.6 mt -47.34 -48.29 25.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.589 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 10.8 p -53.37 -50.75 64.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.624 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -50.01 -41.95 38.28 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -61.56 2.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.546 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.1 tp -49.34 -51.22 35.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.459 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 13.3 mmt85 -51.47 -34.15 34.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.44 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -63.08 -48.84 76.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.479 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.17 -36.81 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.476 179.915 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.568 179.953 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.529 ' CD2' ' H ' ' A' ' 11' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.736 0.303 . . . . 0.0 110.402 . . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.656 ' CD2' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -104.34 173.21 6.4 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -179.636 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.3 ptp -61.9 162.89 8.34 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.363 -179.294 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.79 157.57 60.42 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.312 -178.843 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.426 ' O ' ' OG1' ' A' ' 19' ' ' THR . 53.5 Cg_exo -44.04 -56.42 2.49 Favored 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 122.564 2.176 . . . . 0.0 112.72 179.568 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -52.02 60.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.082 -179.263 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.2 mm -48.79 -42.95 13.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.624 -179.714 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -70.95 -60.92 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -47.92 -57.96 5.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.422 -179.933 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.427 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 2.2 t -52.1 -36.24 50.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.479 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.623 ' ND2' ' CG ' ' A' ' 32' ' ' TYR . 9.0 t30 -80.66 -9.1 59.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.533 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -133.23 24.52 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.682 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.507 ' N ' ' O ' ' A' ' 19' ' ' THR . 14.8 p-10 -65.09 109.78 2.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.506 179.887 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.498 HD21 ' CD2' ' A' ' 182' ' ' HIS . 1.4 m-20 -42.34 128.06 3.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.514 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.66 108.48 0.54 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -147.12 -166.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 110.637 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -177.59 -14.79 0.02 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.47 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 0.0 OUTLIER -176.36 120.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 0.0 110.578 179.949 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.47 ' CD2' ' O ' ' A' ' 28' ' ' ARG . 32.9 m-70 -164.47 -82.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.505 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -179.74 104.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.519 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 35.6 p -47.17 139.89 5.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.878 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.623 ' CG ' ' ND2' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -120.6 149.09 43.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.403 179.908 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.0 tp -143.27 111.84 6.38 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.659 -179.801 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.21 115.72 31.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.998 179.271 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.425 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 28.9 p90 -108.64 148.9 29.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.002 0.43 . . . . 0.0 111.276 -179.316 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -135.95 160.04 39.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.1 179.403 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.496 ' CG2' ' ND1' ' A' ' 51' ' ' HIS . 11.6 t -126.71 126.45 68.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.571 -179.891 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -139.61 134.05 31.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.695 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -103.05 142.13 34.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.331 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 mp -101.23 140.57 35.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.714 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -146.44 100.46 3.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.467 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 57.36 35.39 25.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.549 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.47 -5.67 82.49 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.3 m -90.91 102.53 15.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.765 0.316 . . . . 0.0 110.585 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 75.0 m -89.5 107.45 19.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.594 179.935 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 40.7 t -100.13 125.06 53.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.643 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.33 137.8 32.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.494 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.8 mtm -101.4 136.05 41.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.702 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.21 -50.35 8.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.608 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.66 65.91 9.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.352 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.496 ' ND1' ' CG2' ' A' ' 37' ' ' VAL . 5.0 t-80 -170.29 -9.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.437 -179.623 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.2 170.94 7.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.746 -179.88 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.425 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . 179.71 -172.24 43.93 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 11.3 p90 -147.5 142.41 26.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.788 0.328 . . . . 0.0 110.786 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.7 mt -128.47 178.44 6.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.517 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -149.33 161.82 41.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.504 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.5 t30 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.611 179.99 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.611 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.811 0.339 . . . . 0.0 110.553 . . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.56 -28.96 67.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.433 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -62.33 -50.48 71.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.612 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 22.5 mt -63.7 -51.82 63.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.585 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.8 ttt85 -55.2 -36.22 65.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.666 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -70.91 -50.64 32.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.715 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.6 tp -64.59 -19.73 65.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -33.15 69.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.289 -179.495 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.426 ' C ' ' CD1' ' A' ' 78' ' ' LEU . 3.7 pp -101.39 8.06 42.39 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.921 -0.311 . . . . 0.0 111.046 -179.597 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.569 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -63.58 -41.58 67.04 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.808 179.854 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 27.4 Cg_exo -59.08 -17.69 39.62 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.212 1.941 . . . . 0.0 111.774 179.877 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.4 p -62.56 -9.01 7.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.675 -179.901 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.3 mt -95.26 -46.16 6.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.287 -179.824 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 72.36 47.5 0.27 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.705 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.2 mt -64.6 127.71 32.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.314 179.714 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.31 160.48 27.43 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.634 -179.777 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -71.51 -11.97 28.84 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.611 2.208 . . . . 0.0 112.09 179.832 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.515 ' O ' ' NE2' ' A' ' 88' ' ' GLN . . . -40.82 -35.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.616 -179.871 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.515 ' NE2' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -138.5 171.39 14.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.481 -179.957 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.553 ' N ' ' CD1' ' A' ' 89' ' ' ILE . 1.7 mp -90.19 147.21 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.419 179.929 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -124.37 156.72 36.57 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.51 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -146.55 102.07 3.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.538 -179.853 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.3 t -92.68 133.42 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.459 179.932 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.56 117.8 34.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.571 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 17.8 m0 -100.19 132.61 45.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.062 0.458 . . . . 0.0 110.414 179.838 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.582 ' CE2' ' SG ' ' A' ' 161' ' ' CYS . 49.7 m-85 -126.0 103.02 7.52 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 178.555 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.08 143.21 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.086 -177.871 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 6.3 p -95.89 -26.96 15.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.473 178.889 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -111.99 132.06 55.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.992 179.702 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.9 OUTLIER -57.34 141.73 77.27 Favored Pre-proline 0 CA--C 1.537 0.475 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.42 -179.559 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.423 ' O ' ' O ' ' A' ' 99' ' ' SER . 50.3 Cg_exo -43.27 173.06 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.387 0 C-N-CA 122.027 1.818 . . . . 0.0 112.384 179.733 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.572 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 26.3 p -107.04 -119.41 0.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.994 179.454 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.572 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.2 OUTLIER -70.19 108.54 4.19 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.87 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 108' ' ' GLY . 71.7 m -40.74 -27.23 0.05 Allowed 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.159 -179.426 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.406 ' N ' ' O ' ' A' ' 102' ' ' PHE . 4.1 t90 -85.57 -23.83 27.47 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.783 -179.418 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.36 -63.15 1.59 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 179.784 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.43 -69.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.734 0.302 . . . . 0.0 111.018 -179.876 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.3 -42.12 90.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.845 -179.551 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -53.5 -45.01 67.52 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.868 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -69.43 -26.2 64.49 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.752 -179.926 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 66.6 t -81.97 -63.57 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.94 -36.0 7.15 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.658 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.73 -47.35 63.38 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.411 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -45.79 -39.7 8.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.022 179.401 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.458 ' C ' ' N ' ' A' ' 116' ' ' GLU . 10.4 mp -72.45 -51.15 21.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.143 179.562 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -46.74 -17.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.026 179.577 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.458 ' N ' ' C ' ' A' ' 114' ' ' LEU . 2.2 tp10 -106.82 -32.4 7.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.71 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.513 ' C ' ' H ' ' A' ' 119' ' ' HIS . 5.1 m120 -138.28 59.35 1.65 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.769 -179.788 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.35 1.55 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.055 -179.874 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.513 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -76.23 5.75 6.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.762 0.315 . . . . 0.0 110.638 -179.944 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.1 p -130.94 132.08 63.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.547 179.791 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -91.6 144.0 25.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.4 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.44 122.98 27.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.887 -179.833 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -112.26 123.73 50.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.23 179.626 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.7 mp -105.56 127.47 60.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.653 -179.609 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -121.52 98.22 5.87 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.604 179.786 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.51 111.82 11.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.248 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -85.39 -46.95 10.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.647 -179.801 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.491 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -132.14 142.02 49.34 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.845 0.355 . . . . 0.0 110.658 179.948 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.445 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 0.3 OUTLIER -98.41 132.89 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.529 179.944 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.445 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 0.2 OUTLIER 177.77 116.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.658 179.993 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.5 ' C ' ' H ' ' A' ' 133' ' ' ASP . 0.4 OUTLIER -177.94 136.32 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.511 179.948 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -70.32 10.1 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.527 179.911 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.526 ' C ' ' H ' ' A' ' 135' ' ' LEU . 21.6 m-20 -120.63 81.12 32.11 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.663 -179.932 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.53 ' C ' ' H ' ' A' ' 136' ' ' TYR . 51.8 Cg_exo -49.47 -6.69 0.07 OUTLIER 'Trans proline' 0 N--CA 1.493 1.468 0 C-N-CA 122.476 2.118 . . . . 0.0 112.273 -179.858 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.526 ' H ' ' C ' ' A' ' 133' ' ' ASP . 3.4 mp -54.9 -5.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.651 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.53 ' H ' ' C ' ' A' ' 134' ' ' PRO . 44.9 t80 -41.95 -32.32 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.894 0.378 . . . . 0.0 110.556 -179.922 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -68.46 -61.55 1.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.352 179.81 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -47.88 -30.29 4.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.389 179.732 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.465 ' CB ' ' OG ' ' A' ' 103' ' ' SER . . . -69.16 -46.76 66.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.306 179.881 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.0 tp -52.01 -40.35 60.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.381 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -77.79 -42.2 34.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.479 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.76 -27.21 62.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.503 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 146' ' ' ALA . 6.4 mt -81.39 -49.23 10.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.672 -179.899 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -45.34 -43.05 10.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.542 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -66.63 -23.44 66.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.526 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -82.51 -22.84 34.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.529 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 101.65 -15.5 57.12 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -58.26 156.02 10.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.855 0.36 . . . . 0.0 110.57 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -97.14 134.77 40.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.622 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -132.03 115.2 26.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.552 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.4 t -153.07 162.28 41.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.619 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . 0.441 ' CD1' ' N ' ' A' ' 152' ' ' ILE . 1.6 mp -84.6 133.88 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.41 179.936 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.541 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 2.6 ttt -41.23 130.59 2.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.728 -179.845 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.28 164.56 11.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.642 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . 0.429 ' C ' ' CD1' ' A' ' 155' ' ' TYR . 29.4 t80 -52.9 -52.13 58.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.711 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.88 -61.04 2.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.759 -179.843 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -56.23 -48.47 76.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.705 -179.848 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.541 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 0.2 OUTLIER -41.49 -38.65 1.34 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.797 -179.873 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -74.54 -60.89 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.796 -179.614 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . 0.434 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -47.3 -49.55 23.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.844 -179.73 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.582 ' SG ' ' CE2' ' A' ' 95' ' ' PHE . 0.8 OUTLIER -65.16 -50.29 66.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.811 -179.766 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 162' ' ' TRP . . . . . 0.618 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 2.8 t-105 -43.64 -65.66 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 -179.568 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . 0.618 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -62.09 -49.67 75.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.125 -179.511 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 96.9 m -55.02 -16.86 3.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.518 -179.232 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -121.28 18.65 11.48 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.562 -179.543 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.569 ' C ' ' H ' ' A' ' 168' ' ' HIS . 24.8 t -146.18 138.9 20.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.115 179.649 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.85 39.54 0.07 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.155 0.502 . . . . 0.0 109.688 178.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.569 ' H ' ' C ' ' A' ' 166' ' ' VAL . 32.6 p-80 -44.74 -51.35 9.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.468 -179.703 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . 0.561 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 43.9 mm-40 40.34 32.6 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.533 -179.904 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 142.0 0.35 1.48 Allowed Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.2 m -115.19 82.55 9.12 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.578 0.189 . . . . 0.0 110.589 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -78.0 152.86 28.48 Favored 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.211 1.941 . . . . 0.0 112.357 -179.491 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -62.72 149.7 43.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.965 -179.699 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -140.99 148.09 50.63 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.026 179.658 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -73.14 134.04 20.55 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 122.046 1.831 . . . . 0.0 112.127 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -97.17 -173.69 2.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.382 179.781 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -88.14 86.73 7.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.584 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 146.24 -9.95 1.52 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.0 tt -51.12 -30.39 16.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 110.465 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -76.58 -61.4 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.553 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -51.92 -52.37 50.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.487 -179.869 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 182' ' ' HIS . . . . . 0.498 ' CD2' HD21 ' A' ' 24' ' ' ASN . 45.0 m-70 -53.47 -56.06 20.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.536 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 38.7 t -50.72 -49.86 56.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.577 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -56.97 -33.69 67.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.52 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -67.85 -63.46 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.558 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 9.6 mp -57.26 -59.1 5.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.556 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 1.5 t -50.0 -36.11 27.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.526 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -62.45 -45.39 96.0 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -55.29 -57.76 10.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 110.531 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.0 tp -48.96 -49.06 42.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.458 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -45.74 -49.3 14.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.566 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -56.2 -52.07 65.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.555 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 77.0 mt -60.1 -63.19 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.516 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.517 -179.999 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.783 0.325 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.478 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 6.2 mp -98.56 172.98 7.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.149 -179.895 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.4 mtm -63.04 132.13 50.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.173 179.815 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.12 143.16 79.23 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.349 -179.603 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.432 ' O ' ' OG1' ' A' ' 19' ' ' THR . 87.0 Cg_exo -39.51 -55.46 1.58 Allowed 'Trans proline' 0 N--CA 1.489 1.25 0 C-N-CA 122.148 1.898 . . . . 0.0 112.386 179.775 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -57.97 -54.27 48.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.723 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.0 mm -48.88 -43.16 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.755 -179.768 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -66.84 -61.08 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -53.75 -64.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.679 -179.854 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 t -42.43 -61.19 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.733 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.453 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 22.1 t-20 -50.73 -36.73 37.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.655 -179.838 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -100.87 16.5 24.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.454 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' A' ' 19' ' ' THR . 1.1 t-20 -42.25 112.78 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.51 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -40.48 93.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.586 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 23' ' ' ASN . . . 106.42 108.67 3.32 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.918 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.82 -174.88 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-O 120.706 0.288 . . . . 0.0 110.511 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.92 16.26 0.03 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.69 ' H ' ' NE ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -103.18 144.41 31.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.469 179.978 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -66.62 79.59 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.452 179.866 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -163.33 39.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.637 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.7 p -47.02 157.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.055 -179.888 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.453 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.4 OUTLIER -127.14 143.93 51.15 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.386 179.66 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.41 ' C ' ' CD2' ' A' ' 33' ' ' LEU . 5.1 tt -137.06 118.09 14.32 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.318 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.59 ' SG ' ' CE1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -107.19 122.08 45.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.575 179.919 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 22.7 p90 -109.17 141.83 40.83 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 -179.772 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.429 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 1.9 tm-20 -144.26 129.16 18.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.19 179.804 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.429 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 0.5 OUTLIER -98.36 137.47 25.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.095 0.474 . . . . 0.0 110.94 -179.698 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.43 ' OE1' ' OG1' ' A' ' 93' ' ' THR . 2.5 mp0 -135.75 129.13 32.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.176 179.737 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -94.22 140.65 29.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.623 -179.761 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.5 mt -100.12 149.4 23.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.559 179.803 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.88 104.56 3.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.616 -179.874 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 55.18 24.94 6.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.59 179.85 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.91 -24.0 31.98 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 89.3 m -68.74 127.89 34.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 110.516 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.59 118.99 32.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.641 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.1 t -121.59 102.66 12.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.47 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -77.17 146.32 37.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.596 -179.84 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -92.15 144.84 25.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.754 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.64 -50.39 5.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.453 179.862 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.08 66.02 7.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.173 179.608 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.57 ' NE2' ' CD1' ' A' ' 82' ' ' LEU . 57.8 t-80 -171.17 13.2 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.403 -179.418 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -100.98 143.02 31.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.598 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -161.89 172.46 38.05 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.512 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 1.9 p90 -145.59 147.26 31.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.845 0.355 . . . . 0.0 110.645 -179.92 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -119.21 178.4 4.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.322 179.896 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 40.4 p-80 -130.88 153.08 49.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.577 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.728 -179.972 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.663 ' CD2' ' H ' ' A' ' 70' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.098 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.16 -39.3 1.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.553 -179.554 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -63.97 -39.31 93.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.482 179.808 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 70' ' ' HIS . 74.2 mt -72.2 -40.47 67.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.653 -179.875 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -49.98 62.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.556 -179.86 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.419 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 14.4 t80 -66.27 -37.15 84.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.575 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.71 -19.92 62.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.465 179.888 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -78.24 -23.36 47.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.246 -179.552 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 pp -114.31 9.04 16.88 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.721 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.578 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.1 t -60.05 -41.15 83.29 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.647 179.74 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 14.8 Cg_exo -66.14 -17.32 54.61 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.415 2.077 . . . . 0.0 111.938 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.6 t -59.18 -27.6 65.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.606 -179.933 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.57 ' CD1' ' NE2' ' A' ' 51' ' ' HIS . 3.6 mm? -71.85 -39.32 69.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.473 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.482 ' CB ' ' O ' ' A' ' 82' ' ' LEU . 3.8 tt0 80.61 45.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.967 -179.37 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.5 mt -38.08 155.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.264 -179.687 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.526 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 0.6 OUTLIER -122.54 85.44 48.51 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.106 179.822 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -46.88 -8.71 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 122.3 2.0 . . . . 0.0 112.47 -179.683 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.52 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -45.57 -23.77 0.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.53 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -142.03 -170.65 3.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.704 -179.965 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.542 ' N ' ' CD1' ' A' ' 89' ' ' ILE . 1.7 mp -90.77 144.07 9.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.588 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.444 ' CD2' ' NE2' ' A' ' 88' ' ' GLN . 2.7 m-85 -133.55 161.3 34.99 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.592 179.658 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -142.73 109.68 5.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.434 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.9 t -88.95 116.12 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.467 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.43 ' OG1' ' OE1' ' A' ' 38' ' ' GLU . 1.3 m -92.55 116.4 28.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.601 -179.872 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 15.7 m0 -100.34 133.14 45.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.455 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.548 ' CZ ' ' SG ' ' A' ' 161' ' ' CYS . 67.6 m-85 -126.18 102.87 7.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 178.675 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.59 140.53 26.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.012 0.434 . . . . 0.0 111.842 -178.22 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 1.7 p -94.05 -28.95 15.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.923 179.102 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -112.23 132.92 54.65 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.46 179.815 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.13 162.32 0.51 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.249 179.507 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -67.4 144.52 67.93 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.537 2.158 . . . . 0.0 112.233 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.43 -83.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.55 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -101.14 93.16 5.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.303 0.573 . . . . 0.0 109.483 179.431 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 21.3 p -45.06 -27.72 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.14 -179.203 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -85.55 -22.13 28.24 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.651 -0.419 . . . . 0.0 111.417 -179.369 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.37 -63.58 1.56 Allowed Glycine 0 CA--C 1.526 0.724 0 C-N-CA 120.362 -0.923 . . . . 0.0 111.182 -179.695 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.04 -69.05 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.912 -179.855 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.07 -27.38 44.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.461 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.6 -54.25 27.01 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 109.89 -1.284 . . . . 0.0 109.89 179.201 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -55.3 -31.52 61.69 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.151 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 53.0 t -72.05 -49.47 43.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.922 179.317 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -46.24 -58.89 3.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.887 179.501 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.18 -43.34 64.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.084 179.536 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.401 ' O ' ' N ' ' A' ' 117' ' ' ASN . 2.9 t80 -48.19 -55.02 11.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.331 179.679 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.454 ' C ' ' H ' ' A' ' 116' ' ' GLU . 10.6 mp -60.86 -56.69 18.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.373 179.895 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -46.55 -17.6 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.221 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.454 ' H ' ' C ' ' A' ' 114' ' ' LEU . 37.5 tt0 -110.36 -21.46 12.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.936 -179.891 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.467 ' C ' ' N ' ' A' ' 119' ' ' HIS . 21.0 m120 -132.7 46.1 2.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.941 -179.638 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.9 t -45.65 -16.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.666 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.525 ' ND1' ' O ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -76.21 6.63 5.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.315 179.857 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 117' ' ' ASN . 39.9 t -125.0 122.25 62.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.299 179.766 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -91.27 148.38 22.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.309 179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.3 128.11 39.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.075 -179.537 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -118.52 117.62 29.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.893 179.262 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 5.5 mt -105.9 127.65 60.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.046 -179.33 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -123.57 107.67 11.79 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.356 179.661 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -83.15 112.29 19.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.492 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -82.58 -46.54 13.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.433 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -132.11 144.61 50.83 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.491 179.773 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.486 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 0.2 OUTLIER -104.29 112.21 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.624 -179.806 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.486 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 24.5 m-85 -155.6 123.51 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.666 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 1.0 OUTLIER -162.86 -173.7 3.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.473 -179.942 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -90.56 -66.04 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.558 -179.903 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.523 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.1 OUTLIER -96.81 161.15 27.48 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.44 -179.886 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -69.8 25.16 0.18 Allowed 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.512 2.141 . . . . 0.0 112.088 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.523 ' H ' ' C ' ' A' ' 133' ' ' ASP . 6.1 mt -62.77 -7.26 4.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.559 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.553 ' CG ' ' N ' ' A' ' 137' ' ' LYS . 2.8 p90 -57.45 -39.73 76.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.627 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.553 ' N ' ' CG ' ' A' ' 136' ' ' TYR . 18.7 tttt -70.04 -43.32 71.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 -179.89 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -52.91 -35.05 57.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.531 -179.863 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -72.43 -50.99 22.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.608 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.9 mt -44.55 -48.47 10.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.39 179.871 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -70.52 -53.59 15.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.466 179.809 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -48.16 -28.55 3.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.513 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 146' ' ' ALA . 1.8 mm? -74.08 -54.12 8.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.425 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.84 -34.71 2.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.535 179.926 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.56 -25.28 49.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.59 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -81.29 -23.94 37.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.621 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 84.61 76.96 1.18 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -150.36 172.65 15.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.765 0.317 . . . . 0.0 110.49 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 34.8 tp60 -100.47 112.28 24.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.723 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 2.6 m -119.1 113.74 42.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.43 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 74.1 p -153.23 162.34 41.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.828 -179.789 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.2 tp -80.07 134.56 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.326 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 20.7 mmm -41.23 130.26 2.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.744 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.34 159.33 16.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.434 179.867 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -50.77 -48.62 59.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.58 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.88 -60.74 2.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.594 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.12 -57.76 4.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.574 -179.919 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -42.6 -47.03 5.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.608 -179.93 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -53.79 -48.55 69.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.743 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . 0.611 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.41 -57.41 5.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.719 -179.767 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.611 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 0.1 OUTLIER -53.71 -23.49 11.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.654 -179.924 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 162' ' ' TRP . . . . . 0.613 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 6.5 t-105 -74.24 -70.55 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 -179.742 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . 0.613 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -62.69 -14.17 40.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.093 -179.609 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 98.8 m -84.42 -27.3 27.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.1 -179.665 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . 0.59 ' CE1' ' SG ' ' A' ' 34' ' ' CYS . 47.8 m-85 -121.33 18.75 11.43 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.259 -179.584 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.567 ' C ' ' H ' ' A' ' 168' ' ' HIS . 70.7 t -129.47 145.89 35.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.785 0.326 . . . . 0.0 111.171 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . 0.4 ' OD1' ' OE1' ' A' ' 169' ' ' GLN . 44.6 t0 -75.97 37.91 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.241 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.735 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.6 OUTLIER -37.86 -59.11 0.86 Allowed 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.698 -179.331 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . 0.628 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 2.2 mp0 40.47 18.89 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.003 -179.844 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . 0.735 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 142.64 -0.13 1.4 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 179.736 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . 0.612 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 1.0 OUTLIER -115.0 87.01 14.45 Favored Pre-proline 0 CA--C 1.531 0.236 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.686 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -80.82 161.9 21.25 Favored 'Trans proline' 0 C--N 1.314 -1.275 0 C-N-CA 122.262 1.975 . . . . 0.0 112.869 -178.747 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -52.2 139.74 22.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.586 179.872 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -122.33 84.64 47.01 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.71 -179.786 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -49.67 134.06 33.29 Favored 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.247 1.964 . . . . 0.0 112.098 -179.865 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 176' ' ' TRP . . . . . 0.472 ' O ' ' N ' ' A' ' 178' ' ' GLY . 8.4 p90 -102.44 144.87 30.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.569 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 177' ' ' ASP . 0.9 OUTLIER -53.38 87.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.576 -179.915 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 176' ' ' TRP . . . 158.8 -29.87 0.44 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . 0.406 ' CD1' ' CZ2' ' A' ' 176' ' ' TRP . 1.8 tp -50.33 -29.78 10.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 110.55 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -71.46 -62.3 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.578 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -54.36 -50.9 66.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.597 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -51.14 -59.72 3.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.547 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 25.9 t -52.86 -33.25 48.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.564 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -60.76 -52.81 63.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.565 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -55.33 -54.36 44.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.593 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 46.3 mt -55.45 -50.23 70.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.526 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 20.1 p -59.24 -37.73 78.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.523 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -53.6 -49.0 59.31 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 8.5 mtm-85 -61.92 -54.05 47.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.602 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.73 -44.91 6.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.367 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -65.33 -38.15 89.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.591 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -52.76 -42.12 64.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.677 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . 0.449 ' CD1' ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -70.65 -46.92 67.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.667 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 179.959 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.737 0.303 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.607 ' CD2' ' N ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -108.66 161.34 15.18 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.99 -179.9 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -78.4 166.14 22.98 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.278 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -83.12 147.85 54.97 Favored Pre-proline 0 C--N 1.328 -0.357 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.492 -179.697 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.424 ' O ' ' OG1' ' A' ' 19' ' ' THR . 75.2 Cg_exo -40.21 -53.19 2.65 Favored 'Trans proline' 0 N--CA 1.489 1.22 0 C-N-CA 122.219 1.946 . . . . 0.0 112.102 179.661 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.488 ' ND1' ' OG ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -60.8 -52.47 64.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.049 -179.631 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.403 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 2.9 mm -48.65 -33.73 5.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.513 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -82.42 -61.15 1.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.716 -179.899 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.6 OUTLIER -50.33 -26.5 4.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.599 -179.875 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.488 ' OG ' ' ND1' ' A' ' 16' ' ' HIS . 42.7 m -78.37 -53.52 7.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.483 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.52 ' OD1' ' CE1' ' A' ' 32' ' ' TYR . 20.9 m120 -69.03 0.36 4.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.488 -179.935 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.403 ' H ' ' C ' ' A' ' 20' ' ' SER . 35.5 m-85 -133.1 8.75 4.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.467 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 24' ' ' ASN . 0.1 OUTLIER -77.13 115.93 17.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.62 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.584 ' ND2' ' CE2' ' A' ' 176' ' ' TRP . 0.2 OUTLIER -42.24 165.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.554 179.962 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.06 58.26 11.31 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.9 pt -72.01 -177.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 110.571 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.92 31.34 0.02 OUTLIER Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.499 HH22 HD21 ' A' ' 21' ' ' ASN . 0.2 OUTLIER -137.29 169.39 17.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.714 0.292 . . . . 0.0 110.444 -179.95 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -112.34 84.36 1.96 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.539 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -171.58 48.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.597 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.41 ' HG1' ' CB ' ' A' ' 98' ' ' TRP . 13.9 t -46.98 162.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.24 -179.83 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.52 ' CE1' ' OD1' ' A' ' 21' ' ' ASN . 1.0 OUTLIER -115.24 145.03 42.83 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.37 179.67 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.428 ' C ' ' CD2' ' A' ' 33' ' ' LEU . 5.7 tt -137.64 119.68 15.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.56 -179.726 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.67 133.9 55.05 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.317 179.626 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.569 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 30.4 p90 -122.8 134.68 54.41 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.728 -179.802 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -129.7 137.51 50.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.258 179.74 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -95.84 136.02 28.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 121.012 0.434 . . . . 0.0 110.545 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -140.3 118.07 11.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.521 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.571 HH12 ' CB ' ' A' ' 88' ' ' GLN . 11.6 ttm-85 -79.86 132.24 36.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.259 179.727 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.8 mt -98.73 121.72 41.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.507 -179.761 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -138.67 102.42 4.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.523 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 t30 61.69 25.23 15.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.556 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.62 -17.29 58.6 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.8 m -75.73 117.03 17.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.34 . . . . 0.0 110.581 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.41 ' O ' ' OG ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -100.03 108.82 21.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.646 179.932 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.0 t -101.23 111.6 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.548 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.412 ' NZ ' ' CB ' ' A' ' 47' ' ' LYS . 6.0 ttpm? -84.95 137.92 32.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.582 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.7 mtt -97.99 154.74 17.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.707 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.1 -50.38 4.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.853 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -91.83 70.95 5.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.598 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.518 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 39.3 t-80 -173.76 -13.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.453 -179.735 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 36.0 ptt85 -100.82 170.79 8.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.601 -179.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -172.2 -163.38 25.98 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.457 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 12.4 p90 -155.66 163.16 40.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.657 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 mt -146.32 177.72 8.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.511 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.424 ' ND1' ' N ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -140.29 148.91 42.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.586 179.967 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.5 t30 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.602 -179.896 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.628 ' CD2' ' H ' ' A' ' 70' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.814 0.34 . . . . 0.0 110.652 . . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -47.77 -22.96 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.452 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -63.16 -61.88 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.476 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.7 mp -54.86 -47.2 74.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.489 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -58.64 -40.06 82.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.542 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.569 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 41.9 t80 -73.97 -26.48 60.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.654 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.5 mt -70.65 -26.85 63.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.932 0.396 . . . . 0.0 110.196 179.73 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -74.44 -17.9 60.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.501 179.812 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.7 mt -79.72 -8.45 59.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.653 -179.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.2 t -46.22 -60.05 4.11 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.106 -179.833 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.53 -24.64 37.15 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 121.742 1.628 . . . . 0.0 111.778 179.168 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.5 -8.76 55.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.0 mp -105.88 -41.47 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.607 -179.706 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 61.57 51.97 3.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.515 179.84 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.5 mt -47.38 155.95 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.561 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.528 ' C ' ' H ' ' A' ' 87' ' ' ALA . 0.9 OUTLIER -115.99 85.19 14.53 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.602 -179.895 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -48.55 -8.02 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.42 2.08 . . . . 0.0 112.309 -179.877 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.528 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -52.36 -18.75 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.508 179.826 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.571 ' CB ' HH12 ' A' ' 39' ' ' ARG . 0.1 OUTLIER -144.68 -170.72 3.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.527 179.956 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.5 mm -93.8 152.76 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.953 0.406 . . . . 0.0 110.546 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -141.68 172.27 12.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.772 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -154.06 119.67 5.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.427 -179.672 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.32 136.25 44.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.3 179.641 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.3 m -111.47 122.21 47.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.918 -179.552 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -102.01 132.87 47.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.046 179.378 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.417 ' CD2' ' SG ' ' A' ' 161' ' ' CYS . 12.2 m-85 -120.82 102.91 8.69 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.618 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.03 142.23 27.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.919 -178.029 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.537 ' O ' ' N ' ' A' ' 128' ' ' ARG . 3.6 p -89.12 -31.63 17.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.38 178.657 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . 0.581 ' CZ3' ' CD1' ' A' ' 130' ' ' TYR . 12.6 m95 -110.59 146.93 35.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.438 179.715 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.4 OUTLIER -69.42 149.86 97.13 Favored Pre-proline 0 CA--C 1.534 0.36 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.743 -179.444 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' A' ' 99' ' ' SER . 51.8 Cg_exo -43.43 173.15 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 122.244 1.962 . . . . 0.0 112.422 179.507 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -112.39 -147.2 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.792 179.396 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.519 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -41.76 100.04 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.266 0.555 . . . . 0.0 109.596 179.373 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 101' ' ' CYS . 94.2 p -39.1 -23.98 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.789 -179.91 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.513 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -84.18 -30.99 25.36 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.625 -179.095 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -74.39 -62.11 2.99 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.307 -179.632 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.98 -69.08 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.672 0.273 . . . . 0.0 111.254 -179.557 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -48.12 -30.21 4.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.904 -179.452 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -66.82 -61.99 4.85 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 179.812 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -54.04 -48.58 70.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.96 0.409 . . . . 0.0 110.333 179.735 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.12 -49.19 85.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.479 179.895 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -47.28 -59.11 3.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.25 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -48.11 -40.55 23.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.356 179.869 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -59.82 -50.34 74.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.618 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 56.8 mt -63.74 -32.77 74.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.534 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -64.82 -29.98 70.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.506 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -110.15 13.58 23.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.058 -179.822 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.535 ' C ' ' H ' ' A' ' 119' ' ' HIS . 1.2 t30 -157.09 29.32 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.994 0.426 . . . . 0.0 110.845 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.445 ' C ' ' H ' ' A' ' 120' ' ' VAL . 12.8 t -47.07 -10.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.349 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.535 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.1 OUTLIER -75.89 13.54 0.83 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.885 0.374 . . . . 0.0 110.632 -179.934 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.445 ' H ' ' C ' ' A' ' 118' ' ' THR . 2.4 m -134.93 127.0 47.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.457 179.501 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.37 110.85 22.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.151 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 13.3 tp -109.16 112.46 24.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.77 -179.528 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.21 158.06 16.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.146 179.5 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 20.1 mt -126.21 140.01 49.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.917 -179.745 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -124.46 97.98 5.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.513 179.692 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -81.44 111.03 17.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.335 179.855 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.532 ' C ' HH21 ' A' ' 128' ' ' ARG . . . -82.75 -52.05 7.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 -179.653 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.627 ' CA ' ' HE ' ' A' ' 128' ' ' ARG . 0.0 OUTLIER -121.43 162.4 20.51 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 110.637 -179.835 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.46 142.05 42.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.753 -179.883 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.581 ' CD1' ' CZ3' ' A' ' 98' ' ' TRP . 6.1 t80 -97.18 -140.43 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.877 179.148 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -163.93 21.78 0.07 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.638 179.822 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . 0.439 ' CG ' ' O ' ' A' ' 132' ' ' TYR . 62.8 t80 -106.83 -1.48 22.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.639 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.505 ' C ' ' H ' ' A' ' 135' ' ' LEU . 16.4 m-20 -137.29 70.04 54.87 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.616 -179.903 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -50.68 -6.74 0.1 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.745 2.297 . . . . 0.0 112.142 179.891 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.505 ' H ' ' C ' ' A' ' 133' ' ' ASP . 5.9 mp -78.4 -3.42 43.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.622 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.592 ' CG ' ' N ' ' A' ' 137' ' ' LYS . 12.6 p90 -42.46 -44.7 4.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.628 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.592 ' N ' ' CG ' ' A' ' 136' ' ' TYR . 13.8 pttp -66.4 -37.54 85.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.579 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -59.64 -49.65 76.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.603 -179.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.51 -42.02 81.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.587 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.7 mp -50.93 -58.86 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.571 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -65.57 -46.47 79.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 -179.903 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -44.57 -33.01 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.416 -179.912 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' A' ' 146' ' ' ALA . 1.4 mp -82.32 -45.37 15.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.611 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -45.35 -28.39 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.45 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -83.89 -26.43 29.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.587 179.903 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -77.08 -22.19 53.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.656 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 105.35 -6.67 42.52 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -66.25 -176.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.717 0.294 . . . . 0.0 110.541 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -129.6 136.44 49.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.612 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 2.3 m -132.13 127.33 57.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.546 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.8 m -153.14 162.19 41.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.716 -179.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -84.16 134.15 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.529 179.903 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.588 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 10.4 ttt -52.6 134.07 35.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.614 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.51 163.67 12.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.586 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -58.92 -39.64 82.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.695 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -59.69 -58.13 9.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.54 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -53.9 -29.42 41.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.48 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.588 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.3 OUTLIER -65.85 -41.4 91.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.564 179.905 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -61.22 -48.69 80.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.605 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . 0.602 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.32 -51.34 38.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.586 -179.931 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.602 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 9.2 t -58.87 -23.65 61.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.67 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 162' ' ' TRP . . . . . 0.627 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 2.7 t-105 -72.32 -66.34 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.796 -179.755 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . 0.627 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -64.4 -14.23 55.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.282 -179.457 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 93.9 m -86.39 -22.54 26.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.353 -179.507 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -121.33 18.36 11.44 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.376 -179.449 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.557 ' C ' ' H ' ' A' ' 168' ' ' HIS . 43.5 t -140.74 135.48 34.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.935 0.398 . . . . 0.0 110.687 179.549 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . 0.509 ' C ' ' H ' ' A' ' 169' ' ' GLN . 0.6 OUTLIER -70.86 37.43 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.314 -179.964 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.676 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.2 OUTLIER -48.29 -13.61 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.414 -179.959 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . 0.509 ' H ' ' C ' ' A' ' 167' ' ' ASP . 6.6 mt-30 41.64 19.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.802 179.802 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . 0.676 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 113.64 37.32 1.31 Allowed Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 179.651 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . 0.567 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 1.5 m -127.12 80.45 71.55 Favored Pre-proline 0 N--CA 1.463 0.19 0 CA-C-O 120.629 0.252 . . . . 0.0 110.535 179.72 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -52.43 148.33 26.64 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.512 2.141 . . . . 0.0 112.182 179.873 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . 0.46 ' CE1' ' O ' ' A' ' 174' ' ' GLN . 0.1 OUTLIER -99.27 119.12 37.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.409 179.922 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . 0.46 ' O ' ' CE1' ' A' ' 173' ' ' PHE . 0.0 OUTLIER -85.38 151.2 55.95 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.388 -179.834 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.56 141.97 35.56 Favored 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.167 1.911 . . . . 0.0 112.015 179.808 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 176' ' ' TRP . . . . . 0.584 ' CE2' ' ND2' ' A' ' 24' ' ' ASN . 2.0 p90 -91.5 178.73 5.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.469 179.862 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.81 92.42 2.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.525 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 147.49 -45.44 0.76 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.5 tp -41.44 -34.22 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 110.63 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.05 -62.66 1.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.658 -179.885 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -59.48 -60.4 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.65 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -42.02 -49.84 4.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.562 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 19.8 m -53.95 -42.25 68.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.564 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -41.82 98.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.652 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -68.02 -54.48 18.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.542 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 9.0 mt -49.47 -54.25 18.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.609 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 22.6 m -61.0 -46.98 88.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.593 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -49.04 -47.49 32.52 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 49.7 ttm-85 -58.98 -61.6 2.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.809 0.338 . . . . 0.0 110.591 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.9 tp -48.21 -49.1 34.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.501 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -55.37 -30.28 60.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.517 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -65.79 -50.8 63.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.513 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . 0.409 ' CD1' ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -53.62 -49.33 56.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.565 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 5.7 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.547 179.998 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.528 ' CD2' ' O ' ' A' ' 11' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.804 0.335 . . . . 0.0 110.486 . . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.7 mp -99.98 174.65 6.08 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.382 -179.923 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.519 ' SD ' ' CE1' ' A' ' 54' ' ' PHE . 2.4 tpp -62.06 122.54 15.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.033 179.808 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.12 136.53 28.87 Favored Pre-proline 0 CA--C 1.537 0.446 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.724 -179.241 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.408 ' O ' ' OG1' ' A' ' 19' ' ' THR . 87.0 Cg_exo -40.06 -55.5 1.75 Allowed 'Trans proline' 0 N--CA 1.492 1.391 0 C-N-CA 122.176 1.917 . . . . 0.0 112.402 179.656 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -59.81 -50.1 75.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.277 -179.39 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 mm -48.59 -44.65 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.734 -179.583 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -68.13 -60.95 2.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.609 -179.897 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -50.66 -26.43 5.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.706 -179.78 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.2 t -78.64 -56.51 4.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.507 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.559 ' ND2' ' CE1' ' A' ' 32' ' ' TYR . 1.9 m120 -63.18 -13.97 43.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.526 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -132.47 32.68 3.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.478 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -69.49 -3.06 13.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.519 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 61.92 130.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.553 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.658 ' H ' ' NH1' ' A' ' 128' ' ' ARG . . . 100.85 22.65 10.7 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 pp -78.47 -165.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.0 110.62 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 176.45 -24.87 0.06 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -159.17 120.09 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 0.0 110.472 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -175.49 -82.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.63 179.898 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -173.48 108.74 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.762 -179.928 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 47.6 p -47.19 133.97 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.559 ' CE1' ' ND2' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -108.64 140.23 42.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.335 179.817 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 tp -142.09 111.78 6.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.463 -179.887 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.29 147.03 27.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.021 179.407 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -133.19 134.44 44.08 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.992 0.425 . . . . 0.0 111.053 -179.55 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -134.56 132.01 38.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.029 179.589 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -101.0 144.07 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.027 0.441 . . . . 0.0 110.892 -179.679 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -143.87 118.25 9.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.271 179.91 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -86.4 141.02 29.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.713 -179.823 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 3.6 mm? -75.01 148.7 39.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.412 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -152.92 96.9 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.571 179.908 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 52.96 49.6 19.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.638 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.03 -6.08 22.45 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 179.878 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.9 m -102.74 117.39 34.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.882 0.373 . . . . 0.0 110.598 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.4 p -78.26 144.91 35.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.429 179.772 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.5 t -136.26 118.18 20.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.677 -179.863 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.79 150.03 28.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.39 179.919 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.43 ' O ' ' NH1' ' A' ' 52' ' ' ARG . 51.5 mtt -97.74 158.9 15.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.721 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -97.02 -50.35 4.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.759 -179.926 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -102.31 76.58 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.456 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 48.8 t-80 -172.94 -10.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.423 -179.721 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.43 ' NH1' ' O ' ' A' ' 48' ' ' MET . 6.0 ptp85 -100.88 171.05 7.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.623 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -176.65 -163.78 29.53 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.519 ' CE1' ' SD ' ' A' ' 13' ' ' MET . 42.3 p90 -165.92 146.57 6.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.904 0.383 . . . . 0.0 110.736 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.582 ' CD2' ' N ' ' A' ' 55' ' ' LEU . 1.3 pt? -155.4 157.62 37.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.54 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.509 ' N ' ' ND1' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -108.97 170.36 8.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.74 -179.934 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.602 179.952 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.639 ' CD2' ' H ' ' A' ' 70' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.836 0.35 . . . . 0.0 110.473 . . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.1 -22.85 52.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.484 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -56.57 -51.13 69.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.672 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.2 mp -58.65 -56.7 18.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.532 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -59.39 -21.78 60.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.691 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 75' ' ' PHE . 2.0 t80 -80.64 -34.65 34.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.827 -179.817 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.1 mt -69.24 -30.46 68.61 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.844 0.354 . . . . 0.0 110.477 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.82 -16.54 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.542 179.778 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.478 ' CD1' ' N ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -76.99 -14.23 59.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.245 -179.279 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.478 ' N ' ' CD1' ' A' ' 78' ' ' LEU . 6.4 t -41.29 -60.63 1.68 Allowed Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.683 179.885 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.81 -33.39 50.42 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 121.913 1.742 . . . . 0.0 112.001 179.633 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.71 -8.18 9.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 mp -113.02 -47.79 3.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.272 -179.12 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 59.3 43.48 16.73 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -178.904 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.5 mt -35.96 155.99 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.476 -179.469 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 87' ' ' ALA . 3.7 m-20 -114.71 86.1 12.43 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.122 179.792 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.428 ' C ' ' N ' ' A' ' 88' ' ' GLN . 79.3 Cg_exo -45.26 -10.53 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 122.317 2.012 . . . . 0.0 112.56 -179.347 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 85' ' ' ASP . . . -47.07 -20.17 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.912 0.387 . . . . 0.0 110.174 179.649 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -141.59 176.8 8.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.247 179.832 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.3 mm -91.65 154.22 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.029 0.442 . . . . 0.0 110.825 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -137.41 165.96 24.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.609 179.892 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -135.63 105.29 6.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.598 -179.884 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.9 t -93.54 117.97 38.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.257 179.846 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.41 119.03 37.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.06 -179.561 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -100.69 132.91 45.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.191 179.601 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -125.66 103.33 7.78 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.865 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.89 143.58 22.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.843 -178.275 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 0.6 OUTLIER -97.08 -22.03 17.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.441 178.721 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -111.94 139.81 47.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.367 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.5 OUTLIER -67.73 159.57 77.99 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.765 -179.691 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' A' ' 99' ' ' SER . 53.6 Cg_exo -42.49 173.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.314 -1.287 0 C-N-CA 122.648 2.232 . . . . 0.0 112.475 179.53 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -131.26 -54.95 1.03 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.394 179.691 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.517 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -132.29 107.24 8.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.793 179.566 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.528 ' O ' ' N ' ' A' ' 108' ' ' GLY . 82.7 p -43.33 -33.61 1.04 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.938 -179.682 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -84.63 -21.77 30.16 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.995 -179.646 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.86 -63.74 1.52 Allowed Glycine 0 CA--C 1.525 0.698 0 C-N-CA 120.275 -0.964 . . . . 0.0 110.833 179.889 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.32 -69.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.765 0.317 . . . . 0.0 111.067 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.55 -24.73 61.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.777 -179.596 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -69.13 -60.11 5.41 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.918 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -60.12 -20.77 59.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.972 0.415 . . . . 0.0 110.384 179.836 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 92.1 t -74.02 -61.92 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.448 ' CG ' ' N ' ' A' ' 112' ' ' ALA . 0.0 OUTLIER -57.07 -42.01 79.84 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.155 -179.743 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.448 ' N ' ' CG ' ' A' ' 111' ' ' ARG . . . -51.8 -54.56 27.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.188 179.635 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 117' ' ' ASN . 5.3 t80 -49.34 -43.62 43.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.199 179.63 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.448 ' C ' ' N ' ' A' ' 116' ' ' GLU . 4.4 mp -65.71 -55.83 15.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.28 179.692 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -46.57 -19.41 0.09 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.05 179.573 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 114' ' ' LEU . 15.1 tt0 -110.04 -23.11 11.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.996 -179.939 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . 0.462 ' C ' ' H ' ' A' ' 119' ' ' HIS . 81.2 m-20 -141.7 55.19 1.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.998 -179.708 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.433 ' C ' ' H ' ' A' ' 120' ' ' VAL . 0.1 OUTLIER -53.81 -9.29 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.787 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.499 ' ND1' ' O ' ' A' ' 119' ' ' HIS . 5.0 p80 -76.43 14.15 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.59 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.433 ' H ' ' C ' ' A' ' 118' ' ' THR . 58.5 t -132.34 133.94 59.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.48 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.54 148.34 22.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.514 -179.882 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.16 112.27 13.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.341 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -114.13 117.93 32.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.961 179.522 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 42.3 mt -105.81 130.77 56.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.302 -179.214 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.413 ' CZ ' ' OE2' ' A' ' 157' ' ' GLU . 87.7 m-85 -121.79 97.82 5.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.225 179.392 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -78.14 108.56 11.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.88 0.371 . . . . 0.0 110.428 -179.873 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -80.23 -44.6 19.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.73 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.658 ' NH1' ' H ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -131.32 145.36 51.83 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.813 0.339 . . . . 0.0 110.588 179.88 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.522 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 1.5 mt -102.31 117.05 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.666 -179.894 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.522 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 14.2 m-85 -159.83 115.85 2.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.478 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -139.72 176.82 8.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.532 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -102.26 -13.71 17.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.594 -179.928 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.2 OUTLIER -150.12 160.83 32.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.518 179.946 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.22 7.81 0.77 Allowed 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.517 2.145 . . . . 0.0 112.158 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.409 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.5 mt -62.19 -17.72 58.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.557 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 136' ' ' TYR . . . . . 0.601 ' CD1' ' N ' ' A' ' 137' ' ' LYS . 0.6 OUTLIER -54.56 -28.74 48.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.599 -179.977 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 137' ' ' LYS . . . . . 0.601 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 25.9 ttmt -63.53 -59.22 4.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.588 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -48.46 -44.18 35.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.519 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -51.17 -55.81 16.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.601 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.4 mp -49.02 -42.89 39.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.537 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.75 -52.75 48.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.537 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 142' ' ' MET . . . . . 0.493 ' SD ' ' O ' ' A' ' 103' ' ' SER . 0.6 OUTLIER -46.87 -27.17 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.544 -179.967 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 146' ' ' ALA . 4.9 mt -82.13 -58.8 2.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.536 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -46.28 -21.99 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.624 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . 0.403 ' N ' ' C ' ' A' ' 143' ' ' LEU . 0.8 OUTLIER -85.16 -28.98 25.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.704 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -77.31 -24.09 50.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.567 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 97.52 10.84 52.89 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -76.63 176.1 8.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.728 0.299 . . . . 0.0 110.567 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -105.71 129.24 53.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.58 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 1.1 t -132.14 111.47 18.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.487 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 76.5 p -147.26 162.25 39.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.628 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 2.3 mt -84.94 133.64 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.505 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 153' ' ' MET . . . . . 0.566 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 2.6 ttt -50.11 121.65 5.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.576 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 6.3 p -101.67 -178.6 3.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.561 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -61.32 -55.18 34.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.67 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -50.15 -42.11 50.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.684 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . 0.413 ' OE2' ' CZ ' ' A' ' 125' ' ' PHE . 6.3 mm-40 -67.49 -35.48 79.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.578 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.566 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 1.0 OUTLIER -63.1 -45.32 92.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.55 -179.937 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -59.5 -45.39 91.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.608 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 160' ' ' HIS . . . . . 0.614 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -66.92 -57.62 6.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.444 179.891 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.614 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 6.8 t -55.98 -23.54 33.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.719 -179.902 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 162' ' ' TRP . . . . . 0.623 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 7.2 t-105 -73.87 -71.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.01 -179.62 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 163' ' ' ASP . . . . . 0.623 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -62.7 -14.33 42.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.245 -179.627 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 164' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 52.4 m -82.95 -27.28 30.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.238 -179.612 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -121.36 9.68 10.4 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 116.592 -0.277 . . . . 0.0 111.518 -179.436 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.601 ' C ' ' H ' ' A' ' 168' ' ' HIS . 73.1 t -122.2 143.24 35.54 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.298 0 CA-C-O 120.985 0.422 . . . . 0.0 111.217 179.821 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -71.35 36.19 0.05 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.626 178.923 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 168' ' ' HIS . . . . . 0.722 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.7 OUTLIER -43.0 -59.14 2.13 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.794 179.941 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 169' ' ' GLN . . . . . 0.63 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 7.5 mt-30 42.88 15.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.113 179.669 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 170' ' ' GLY . . . . . 0.722 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 144.34 0.4 1.01 Allowed Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 179.784 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 171' ' ' CYS . . . . . 0.624 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 3.9 m -115.32 88.81 19.46 Favored Pre-proline 0 CA--C 1.531 0.228 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.72 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -82.19 149.62 15.34 Favored 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 122.383 2.056 . . . . 0.0 112.371 -179.425 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 173' ' ' PHE . . . . . 0.478 ' CE1' ' O ' ' A' ' 174' ' ' GLN . 0.4 OUTLIER -99.75 118.94 37.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.465 -179.952 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 174' ' ' GLN . . . . . 0.478 ' O ' ' CE1' ' A' ' 173' ' ' PHE . 4.4 mp0 -81.34 155.99 71.53 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.422 -179.936 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -69.0 134.47 29.65 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 C-N-CA 122.288 1.992 . . . . 0.0 112.152 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -74.78 172.63 11.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.468 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.95 102.34 13.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.464 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 137.84 -6.48 3.48 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.19 -43.22 70.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.324 . . . . 0.0 110.522 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -62.92 -62.58 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.589 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -51.48 -57.17 9.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -49.8 -56.02 11.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.602 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 23.5 t -50.14 -47.82 54.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.577 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -60.91 -32.79 72.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.539 -179.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -68.77 -55.85 9.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.546 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 26.7 mt -65.01 -57.72 7.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.562 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 59.9 p -46.09 -38.17 7.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.6 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -63.71 -50.03 64.43 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -47.05 -51.61 17.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.834 0.35 . . . . 0.0 110.547 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 190' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 192' ' ' ALA . 0.5 OUTLIER -59.46 -61.86 2.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.614 -179.967 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 1.8 ttm105 -46.55 -16.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.536 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 192' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 190' ' ' LEU . . . -94.32 -52.44 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.717 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.5 tp -62.57 -26.57 40.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.637 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.575 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mtt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.18 102.88 1.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.561 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 43.03 -99.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.679 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.44 162.67 10.12 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.475 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -69.21 126.93 14.28 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.561 2.174 . . . . 0.0 112.123 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.6 168.16 20.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.665 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.9 p -104.98 -115.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.532 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.413 ' C ' ' H ' ' A' ' 10' ' ' ARG . . . 174.39 63.92 0.05 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -76.61 28.96 0.41 Allowed 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.784 2.323 . . . . 0.0 112.197 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.42 ' O ' ' OD1' ' A' ' 167' ' ' ASP . 2.3 mtt85 -77.06 -136.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.52 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.46 ' CD2' ' H ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER -107.42 73.79 0.93 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.342 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.541 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 7.0 mp -94.57 174.67 7.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.216 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.501 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -61.7 150.91 35.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.16 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 1.1 m-20 -67.44 147.31 98.83 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.952 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.42 ' O ' ' OG1' ' A' ' 19' ' ' THR . 72.8 Cg_exo -41.1 -46.75 5.23 Favored 'Trans proline' 0 N--CA 1.49 1.32 0 C-N-CA 122.379 2.053 . . . . 0.0 112.395 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.3 -46.7 48.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.351 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 mm -48.47 -39.39 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.587 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.404 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 33.5 t80 -71.66 -56.32 6.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.751 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -54.36 -64.32 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.646 -179.823 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.7 m -46.72 -42.66 17.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.59 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.513 ' OD1' ' CD1' ' A' ' 32' ' ' TYR . 6.6 t30 -62.19 -52.27 64.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.715 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -84.4 17.54 2.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.608 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -50.09 95.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.528 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -46.36 118.26 1.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.59 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.83 68.32 0.79 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 pt -108.12 -165.92 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.848 0.356 . . . . 0.0 110.684 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.92 -27.62 0.02 OUTLIER Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.441 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 0.0 OUTLIER -172.02 120.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.374 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.441 ' CG ' ' O ' ' A' ' 28' ' ' ARG . 14.2 m-70 -164.7 -86.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.548 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -172.94 110.91 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.694 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.9 p -47.04 143.35 3.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.754 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.513 ' CD1' ' OD1' ' A' ' 21' ' ' ASN . 0.7 OUTLIER -118.6 142.4 47.67 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.649 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.7 tp -139.15 110.87 7.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.482 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.21 110.25 21.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.253 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.454 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 36.2 p90 -101.3 134.56 44.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -120.65 129.17 53.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.182 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.454 ' CB ' ' ND1' ' A' ' 51' ' ' HIS . 12.3 t -104.26 131.01 54.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.943 0.401 . . . . 0.0 110.799 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -143.73 152.06 40.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.369 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -107.51 140.54 40.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.431 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 mp -99.21 121.25 40.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.53 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -136.16 102.21 4.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.552 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.5 ' C ' ' H ' ' A' ' 44' ' ' THR . 59.7 t30 52.63 54.69 10.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.532 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.27 -8.88 1.84 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.5 ' H ' ' C ' ' A' ' 42' ' ' ASN . 0.2 OUTLIER -90.57 100.61 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.519 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 m -84.53 117.06 23.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.577 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.2 t -100.77 105.79 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.9 mttp -69.75 126.37 29.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.597 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 6.6 mtt -80.02 147.15 31.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.475 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.68 -50.15 5.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.57 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -102.2 71.65 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.485 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.454 ' ND1' ' CB ' ' A' ' 37' ' ' VAL . 31.9 t-80 -166.76 -12.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.647 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.519 ' NH2' ' O ' ' A' ' 164' ' ' THR . 14.2 ptt85 -100.88 170.72 8.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.609 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.454 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . -179.52 -173.32 44.54 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.479 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 9.2 p90 -144.4 153.32 41.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 0.0 110.703 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mp -128.42 178.48 6.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.645 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.422 ' O ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -150.86 137.66 18.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.457 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.461 ' C ' ' ND2' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -40.81 162.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.662 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.403 ' N ' ' CG ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -155.48 128.35 8.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.642 -179.846 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.29 68.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.531 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -147.49 14.71 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.584 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.501 ' C ' ' H ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -143.24 23.62 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.541 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.81 -1.71 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.678 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.501 ' H ' ' C ' ' A' ' 61' ' ' ASN . 1.6 mm? -87.65 -22.64 24.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.378 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -85.22 8.05 19.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.574 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.29 -17.81 57.37 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -85.09 67.01 10.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.741 0.305 . . . . 0.0 110.542 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -46.33 162.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.528 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -42.35 125.07 3.99 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -131.28 138.36 49.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.671 0.272 . . . . 0.0 110.452 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.62 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -78.44 157.85 28.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.615 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.0 -37.24 81.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.428 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -50.88 -45.41 60.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.2 mt -71.27 -60.15 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.682 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.6 mtp85 -51.46 -21.61 2.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.439 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 3.7 t80 -75.63 -64.65 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.661 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 tp -49.82 -19.89 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.952 0.406 . . . . 0.0 110.787 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -15.92 10.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.612 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.465 ' C ' ' CD2' ' A' ' 78' ' ' LEU . 0.1 OUTLIER -95.6 -8.91 33.63 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -178.65 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.563 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -58.93 -42.26 93.04 Favored Pre-proline 0 CA--C 1.53 0.206 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.914 -179.447 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 16.6 Cg_exo -64.47 -20.49 66.07 Favored 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.368 2.045 . . . . 0.0 111.852 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.5 t -87.55 -11.31 49.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.804 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 47.7 mt -99.14 -15.74 18.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.654 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 41.23 52.89 3.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.629 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.9 mt -38.75 155.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.762 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.508 ' C ' ' H ' ' A' ' 87' ' ' ALA . 62.1 m-20 -116.07 85.31 14.95 Favored Pre-proline 0 CA--C 1.531 0.227 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.501 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -49.1 -7.38 0.07 OUTLIER 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.326 2.017 . . . . 0.0 112.415 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.508 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -42.07 -35.57 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.22 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.522 ' NE2' ' H ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -129.84 -170.88 2.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.235 179.79 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.4 mm -90.72 155.93 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 110.587 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -134.88 166.44 22.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.573 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -140.93 103.66 4.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.564 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.38 117.16 42.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.088 179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.2 m -101.11 122.46 43.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.064 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 18.7 m0 -100.6 131.8 46.32 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.453 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.593 ' CE1' ' SG ' ' A' ' 161' ' ' CYS . 47.5 m-85 -123.95 102.75 7.94 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.97 141.07 29.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.961 -178.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 5.6 p -96.95 -24.36 15.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.75 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 13.5 m95 -114.07 133.85 55.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.537 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.32 163.12 1.01 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.565 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -70.64 172.95 12.49 Favored 'Trans proline' 0 C--N 1.31 -1.489 0 C-N-CA 122.559 2.173 . . . . 0.0 112.216 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.584 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 30.6 p -107.77 -131.73 0.31 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.551 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.584 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -56.22 99.69 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.391 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.486 ' OG ' ' SD ' ' A' ' 142' ' ' MET . 48.0 t -38.55 -25.17 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.804 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.521 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -85.28 -32.59 22.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.484 -179.479 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -78.02 -62.22 2.38 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.21 -69.13 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.733 0.301 . . . . 0.0 111.148 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -51.32 -54.76 23.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.77 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -42.17 -55.06 4.39 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.16 -49.12 23.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.285 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 3.0 t -64.12 -50.65 76.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.706 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -41.8 -59.36 1.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.505 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.52 -40.41 68.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.413 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 117' ' ' ASN . 7.4 t80 -52.75 -48.83 66.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.449 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.429 ' C ' ' N ' ' A' ' 116' ' ' GLU . 17.9 mt -68.53 -53.85 20.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.424 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -46.68 -20.33 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.435 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.438 ' C ' HD21 ' A' ' 117' ' ' ASN . 0.7 OUTLIER -110.36 -30.37 7.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.035 -179.813 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.482 ' C ' ' H ' ' A' ' 119' ' ' HIS . 1.9 m-80 -131.42 53.94 1.95 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.911 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.31 4.6 0.69 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.753 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.482 ' H ' ' C ' ' A' ' 117' ' ' ASN . 9.3 p80 -82.14 12.05 4.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.878 0.37 . . . . 0.0 110.467 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.0 m -132.31 134.61 59.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.537 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -91.4 116.3 28.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.056 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.94 119.76 39.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.07 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -106.85 123.75 48.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.659 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 21.3 mm -104.71 128.16 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.026 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -126.84 114.38 17.83 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.011 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -97.44 109.86 22.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.06 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -81.82 -42.92 18.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -135.94 141.56 44.51 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.904 0.383 . . . . 0.0 110.734 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.518 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 0.5 OUTLIER -99.21 125.29 52.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.671 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 4.5 m-85 -172.62 119.68 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.44 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -153.65 -166.06 2.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.613 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -86.65 -31.71 20.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.63 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.98 162.33 44.04 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.471 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.437 ' C ' ' N ' ' A' ' 136' ' ' TYR . 39.0 Cg_endo -69.72 3.8 2.54 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.579 2.186 . . . . 0.0 112.07 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 tp -45.29 -20.25 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.504 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.437 ' N ' ' C ' ' A' ' 134' ' ' PRO . 0.0 OUTLIER -44.66 -25.72 0.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.424 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -61.37 -59.99 4.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.353 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.32 -29.1 57.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.269 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.23 -38.09 89.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.322 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.2 mp -68.24 -39.72 82.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.517 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -73.73 -60.63 2.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.541 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.486 ' SD ' ' OG ' ' A' ' 103' ' ' SER . 3.2 ttm -44.8 -37.72 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.559 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.3 -40.04 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -52.64 -41.89 64.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.516 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.35 -3.13 15.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.555 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -90.35 -24.05 20.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.548 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 101.25 -19.08 52.84 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -54.63 159.85 2.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.788 0.328 . . . . 0.0 110.57 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . 0.423 ' OE1' ' O ' ' A' ' 149' ' ' GLN . 0.6 OUTLIER -98.07 107.1 19.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.572 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 12.4 p -100.73 120.87 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.13 161.31 42.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.547 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.1 tp -88.11 138.03 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.585 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.543 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 2.5 ttt -42.65 135.37 2.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.621 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.57 162.1 16.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.555 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -57.06 -47.43 80.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.699 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -56.31 -38.74 71.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.555 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . 0.49 ' O ' ' SG ' ' A' ' 161' ' ' CYS . 91.0 mt-10 -69.53 -32.0 70.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.63 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.543 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.5 OUTLIER -63.39 -44.65 94.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.584 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.74 -50.27 71.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.776 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.505 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -64.82 -57.8 7.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.695 -179.843 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.593 ' SG ' ' CE1' ' A' ' 95' ' ' PHE . 83.9 m -51.99 -33.05 36.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.83 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' TRP . . . . . 0.544 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 6.7 t-105 -64.17 -70.13 0.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.972 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . 0.545 ' OD1' ' ND1' ' A' ' 168' ' ' HIS . 73.2 m-20 -58.52 -17.08 18.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.603 0.24 . . . . 0.0 111.135 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.519 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 36.7 m -86.68 -43.24 12.75 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.752 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.501 ' O ' ' SD ' ' A' ' 13' ' ' MET . 48.2 m-85 -98.46 19.4 14.55 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.48 ' C ' ' H ' ' A' ' 168' ' ' HIS . 94.3 t -137.56 147.09 26.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.925 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . 0.528 ' C ' ' H ' ' A' ' 169' ' ' GLN . 0.4 OUTLIER -80.84 35.2 0.36 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.445 0.641 . . . . 0.0 109.357 179.219 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.586 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -45.49 -13.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.931 -179.596 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . 0.528 ' H ' ' C ' ' A' ' 167' ' ' ASP . 29.0 mt-30 48.06 12.96 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.909 0.385 . . . . 0.0 110.455 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . 0.586 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 113.98 50.54 0.51 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . 0.524 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.0 OUTLIER -127.16 150.4 72.14 Favored Pre-proline 0 CA--C 1.537 0.451 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 179.709 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -77.03 172.53 16.0 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 122.434 2.089 . . . . 0.0 112.864 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -91.43 150.71 21.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.107 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -110.2 94.3 17.9 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.819 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -81.38 145.0 14.74 Favored 'Trans proline' 0 N--CA 1.49 1.27 0 C-N-CA 122.158 1.905 . . . . 0.0 112.195 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' TRP . . . . . 0.484 ' HE1' ' CD2' ' A' ' 182' ' ' HIS . 0.2 OUTLIER -72.56 167.3 20.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.319 179.766 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.42 86.48 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 110.663 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 150.04 50.4 0.02 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 6.3 mp -77.47 -49.31 15.05 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.554 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . 0.408 ' O ' ' CG ' ' A' ' 184' ' ' GLN . 3.6 t0 -59.2 -22.35 60.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.866 0.365 . . . . 0.0 110.299 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -78.75 -61.78 1.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.18 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' HIS . . . . . 0.519 ' C ' ' ND1' ' A' ' 182' ' ' HIS . 0.3 OUTLIER -66.93 -32.53 73.85 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.974 -179.362 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' SER . . . . . 0.405 ' N ' ' ND1' ' A' ' 182' ' ' HIS . 85.0 p -67.51 -53.48 28.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.481 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . 0.408 ' CG ' ' O ' ' A' ' 180' ' ' ASP . 37.3 mm-40 -60.7 -35.11 75.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.498 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -64.55 -64.48 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.538 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 11.5 mt -54.23 -58.2 8.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.515 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 74.3 m -47.66 -37.25 12.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.53 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -64.18 -35.21 91.69 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . 0.624 ' CA ' ' HE ' ' A' ' 189' ' ' ARG . 0.0 OUTLIER -65.83 -56.91 9.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.328 . . . . 0.0 110.427 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.2 tt -47.67 -56.14 7.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.398 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.05 -49.44 16.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.452 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -47.2 -52.82 14.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.578 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . 0.442 ' CD1' ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -63.75 -30.16 49.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.567 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.4 mt -81.31 -4.77 56.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.542 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -103.85 92.14 4.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.56 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -125.29 17.82 8.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.546 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.85 166.2 27.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.528 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 97.68 -27.12 20.31 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 19.8 t30 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.6 179.958 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.3 mtm . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -69.04 65.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.589 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.96 -40.69 9.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.612 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.8 m -139.42 61.39 19.8 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.598 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -74.87 -27.42 10.29 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.723 2.282 . . . . 0.0 112.18 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -172.4 -141.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.571 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' A' ' 8' ' ' GLY . 48.3 t 55.05 -127.7 2.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.488 ' C ' ' H ' ' A' ' 10' ' ' ARG . . . -137.7 177.13 20.16 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -72.05 22.69 0.26 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.815 2.344 . . . . 0.0 112.06 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.488 ' H ' ' C ' ' A' ' 8' ' ' GLY . 0.7 OUTLIER 60.48 154.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.529 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -161.55 99.0 1.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.52 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.588 ' CD2' ' N ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -107.59 173.41 6.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.161 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 63.4 mtm -71.8 156.92 38.77 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.25 139.16 92.2 Favored Pre-proline 0 CA--C 1.537 0.469 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.403 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.408 ' O ' ' OG1' ' A' ' 19' ' ' THR . 77.7 Cg_exo -40.5 -54.25 2.37 Favored 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 122.113 1.875 . . . . 0.0 112.258 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -64.19 -47.46 79.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.973 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.415 ' O ' ' OD1' ' A' ' 21' ' ' ASN . 1.8 mm -48.87 -32.75 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.565 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -81.65 -60.43 2.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.607 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -50.88 -24.18 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.52 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 t -86.16 -42.24 14.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.566 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.649 HD21 ' NH2' ' A' ' 28' ' ' ARG . 10.6 m120 -73.36 -5.19 38.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.602 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -133.2 24.2 4.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.494 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -76.12 107.2 8.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.562 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -42.64 113.52 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.588 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.14 66.21 0.82 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -99.57 -176.36 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.598 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -165.42 1.49 0.05 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.649 ' NH2' HD21 ' A' ' 21' ' ' ASN . 0.2 OUTLIER -85.43 163.01 18.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 0.0 110.518 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -104.53 94.77 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.636 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -172.81 62.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.655 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 24.0 p -47.06 133.68 11.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -106.1 135.78 46.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.393 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.8 tp -134.51 107.75 7.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.328 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.59 ' SG ' ' CG ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -93.68 118.68 31.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.336 179.779 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.448 ' CE2' ' C ' ' A' ' 53' ' ' GLY . 25.9 p90 -107.17 134.04 50.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.522 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.441 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -127.78 129.41 46.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.169 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.47 ' CB ' ' ND1' ' A' ' 51' ' ' HIS . 86.3 t -99.34 125.93 52.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.969 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -138.27 157.04 47.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.316 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -126.33 142.55 51.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.474 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.1 mt -87.85 144.1 26.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.95 0.405 . . . . 0.0 110.691 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.32 103.16 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.599 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.42 25.06 13.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.519 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.42 -19.94 52.71 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 m -87.19 112.19 21.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.611 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 p -76.47 125.04 28.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.599 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.7 t -111.73 102.5 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.629 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.71 154.36 41.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.454 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -103.37 147.56 26.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.643 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 9.9 p-10 -91.31 -50.37 5.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.549 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.89 69.57 1.57 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.316 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.47 ' ND1' ' CB ' ' A' ' 37' ' ' VAL . 10.5 t-80 -171.51 9.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.463 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.536 HH22 ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -111.82 170.74 7.93 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.513 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.448 ' C ' ' CE2' ' A' ' 35' ' ' TYR . . . 176.85 -174.93 47.42 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -146.17 138.35 25.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.652 0.263 . . . . 0.0 110.725 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.4 mt -125.58 169.65 12.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.515 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.04 138.21 43.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.297 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.417 ' O ' ' O ' ' A' ' 58' ' ' GLN . 0.1 OUTLIER -70.34 -162.13 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.061 0.458 . . . . 0.0 110.875 -179.734 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 57' ' ' ASN . 16.1 mt-30 51.76 172.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.685 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.88 -22.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.339 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt 60.67 96.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.712 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.533 ' O ' ' N ' ' A' ' 63' ' ' LEU . 1.1 t-20 -113.6 122.86 48.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.373 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.31 -15.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.319 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 61' ' ' ASN . 3.8 mt -67.75 -51.09 53.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.771 0.32 . . . . 0.0 110.595 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.417 ' C ' ' H ' ' A' ' 66' ' ' PHE . 3.9 t -105.84 -13.39 15.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.629 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.523 ' O ' ' CG ' ' A' ' 66' ' ' PHE . . . 75.97 -12.97 7.75 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.523 ' CG ' ' O ' ' A' ' 65' ' ' GLY . 97.5 m-85 -158.77 65.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.726 0.298 . . . . 0.0 110.645 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.76 120.02 14.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.549 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -116.58 105.66 1.38 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 45.0 mtp85 -136.66 116.79 13.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.696 0.284 . . . . 0.0 110.512 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.476 ' NE2' ' CD1' ' A' ' 73' ' ' LEU . 0.3 OUTLIER -41.37 135.27 2.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.102 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 74' ' ' ARG . . . -80.95 -15.1 57.18 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.974 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.528 ' OE1' ' CZ3' ' A' ' 94' ' ' TRP . 2.2 mm-40 -41.05 -39.99 1.35 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.911 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.476 ' CD1' ' NE2' ' A' ' 70' ' ' HIS . 96.1 mt -71.03 -35.3 71.94 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.699 -0.4 . . . . 0.0 109.995 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 71' ' ' ALA . 0.5 OUTLIER -59.45 -24.24 63.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.983 179.545 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -81.14 -58.51 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.476 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.446 ' O ' ' CG2' ' A' ' 79' ' ' VAL . 5.0 mt -62.77 -19.74 64.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -55.44 -36.7 66.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.65 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 pp -79.83 4.71 15.71 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.235 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.446 ' CG2' ' O ' ' A' ' 76' ' ' LEU . 4.3 t -42.48 -59.85 2.57 Favored Pre-proline 0 CA--C 1.534 0.342 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.245 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.29 -33.97 57.87 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 121.747 1.631 . . . . 0.0 111.883 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.487 ' H ' ' HG ' ' A' ' 81' ' ' SER . 0.7 OUTLIER -60.86 -9.13 3.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.678 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.8 mt -107.95 -46.54 3.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.375 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 65.76 49.53 1.7 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.074 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.32 131.52 48.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.247 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.35 159.66 30.69 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.538 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.419 ' O ' ' O ' ' A' ' 87' ' ' ALA . 54.6 Cg_endo -71.51 3.34 3.73 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.518 2.145 . . . . 0.0 112.372 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 86' ' ' PRO . . . -42.11 -94.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.701 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.669 ' NE2' ' H ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -93.66 -167.76 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.375 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -94.3 160.68 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.987 0.422 . . . . 0.0 110.257 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -128.57 140.67 51.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.939 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -125.1 108.09 11.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.312 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.1 t -103.24 124.82 57.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.037 0.446 . . . . 0.0 110.205 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.65 122.72 39.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.786 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.528 ' CZ3' ' OE1' ' A' ' 72' ' ' GLU . 16.3 m0 -103.36 131.88 50.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.523 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -124.8 102.95 7.81 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.9 138.34 39.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.415 -178.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 0.5 OUTLIER -94.73 -23.88 17.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.882 179.237 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.608 ' CZ3' ' CD2' ' A' ' 130' ' ' TYR . 20.8 m95 -114.23 136.44 52.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.488 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -51.28 162.69 0.62 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.626 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' A' ' 99' ' ' SER . 53.9 Cg_exo -42.34 172.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 122.658 2.239 . . . . 0.0 112.309 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.63 -34.81 3.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.355 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.504 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.2 OUTLIER -171.48 109.21 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.694 179.708 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.497 ' O ' ' SD ' ' A' ' 142' ' ' MET . 53.4 p -42.34 -36.56 1.3 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.795 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -84.64 -19.88 32.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.259 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -86.27 -65.33 1.42 Allowed Glycine 0 CA--C 1.526 0.761 0 C-N-CA 120.102 -1.047 . . . . 0.0 111.135 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.64 -69.51 0.58 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.747 0.308 . . . . 0.0 110.763 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.6 -20.82 8.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.015 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -68.83 -60.86 5.02 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.283 -1.127 . . . . 0.0 110.283 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -55.08 -23.1 18.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 110.284 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 88.3 t -72.62 -62.9 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.727 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.528 ' NH2' ' CE ' ' A' ' 142' ' ' MET . 6.7 ptt180 -53.74 -30.72 45.49 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.168 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.84 -48.72 77.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.245 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -64.84 -38.88 92.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 10.4 mp -74.62 -32.75 62.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.968 0.414 . . . . 0.0 110.727 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -62.14 -36.1 80.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.116 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -100.55 -4.93 27.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.926 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.558 ' C ' ' H ' ' A' ' 119' ' ' HIS . 14.1 t-20 -164.29 61.88 0.15 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.051 0.453 . . . . 0.0 110.943 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.29 2.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.254 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.558 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -75.75 3.03 10.63 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.427 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.423 ' CG1' ' O ' ' A' ' 120' ' ' VAL . 7.1 p -124.46 99.14 5.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.379 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -99.28 148.91 23.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.259 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.59 153.47 43.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.189 0.519 . . . . 0.0 111.644 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -107.12 135.79 48.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.067 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.7 mp -105.33 132.86 51.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.822 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -128.02 115.74 18.95 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.963 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -96.61 110.6 22.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.07 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -82.86 -40.57 20.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -137.46 138.09 39.39 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.951 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -103.17 115.46 45.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.534 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.608 ' CD2' ' CZ3' ' A' ' 98' ' ' TRP . 10.7 t80 -103.51 153.29 20.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.972 0.415 . . . . 0.0 110.518 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 1.1 m-20 -78.94 74.31 5.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.563 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.18 -59.95 2.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.555 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -159.85 162.14 25.21 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.441 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.494 ' C ' ' H ' ' A' ' 136' ' ' TYR . 40.8 Cg_endo -69.83 -11.44 30.76 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.533 2.155 . . . . 0.0 112.094 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 7.8 mt -66.42 4.57 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.622 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.494 ' H ' ' C ' ' A' ' 134' ' ' PRO . 0.5 OUTLIER -57.48 -54.8 42.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.596 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -56.69 -54.72 42.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.603 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -44.72 -53.48 7.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.618 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -48.53 -50.9 30.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.512 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.08 -51.0 26.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.616 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -61.79 -50.53 71.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.649 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.528 ' CE ' ' NH2' ' A' ' 111' ' ' ARG . 1.7 ttt -47.28 -49.93 22.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.619 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.8 mt -57.22 -41.52 79.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.607 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -60.14 -31.87 70.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.58 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -84.1 -13.51 52.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.554 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.6 -16.39 30.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.588 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.97 -8.16 67.67 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.35 157.93 37.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.761 0.315 . . . . 0.0 110.568 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -95.0 146.39 24.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.575 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 11.4 t -132.05 120.83 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.589 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.6 m -153.11 162.07 41.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.548 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.7 tp -90.06 130.45 39.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.476 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -41.49 122.25 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.591 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.82 173.66 6.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.629 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 155' ' ' TYR . 1.2 t80 -58.86 -55.73 31.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.586 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -50.07 -44.02 51.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.447 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -62.35 -42.49 99.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.629 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -57.56 -48.94 77.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.575 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -52.3 -50.08 62.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.973 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.612 ' CD2' ' N ' ' A' ' 161' ' ' CYS . 0.4 OUTLIER -67.89 -57.84 5.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.827 -179.789 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.612 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 2.5 t -52.19 -26.37 11.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.802 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' TRP . . . . . 0.633 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.0 t-105 -70.86 -70.09 0.33 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.92 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . 0.633 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -63.33 -14.3 48.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.612 -179.123 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.57 ' HG1' ' CE1' ' A' ' 160' ' ' HIS . 23.0 m -82.51 -27.26 31.85 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.911 -0.315 . . . . 0.0 111.194 -179.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.59 ' CG ' ' SG ' ' A' ' 34' ' ' CYS . 58.4 m-85 -121.7 19.65 11.07 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.574 -179.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.546 ' C ' ' H ' ' A' ' 168' ' ' HIS . 71.1 t -135.06 155.18 37.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 121.146 0.498 . . . . 0.0 111.711 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . 0.438 ' N ' ' CG1' ' A' ' 166' ' ' VAL . 5.8 m-20 -75.7 32.54 0.11 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.769 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.727 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -38.02 -52.3 1.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.921 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . 0.621 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 16.2 mm-40 41.32 15.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.598 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . 0.727 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 143.58 -2.79 1.53 Allowed Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . 0.587 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 56.2 m -114.09 88.74 15.34 Favored Pre-proline 0 CA--C 1.531 0.238 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -78.68 166.81 23.3 Favored 'Trans proline' 0 C--N 1.315 -1.224 0 C-N-CA 122.076 1.851 . . . . 0.0 112.701 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -51.67 146.14 8.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.751 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -124.98 86.78 56.21 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.272 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -50.95 131.95 36.22 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.289 1.992 . . . . 0.0 112.077 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -99.6 -178.42 3.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.521 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -83.03 100.03 10.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.567 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 143.33 -25.49 2.17 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 2.2 tp -48.57 -52.85 20.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.812 0.339 . . . . 0.0 110.512 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -51.36 -50.07 60.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.582 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -57.68 -61.7 2.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.588 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -44.46 -41.1 6.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 1.3 m -63.1 -45.82 90.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.637 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -56.46 -34.97 67.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.632 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -73.04 -65.07 0.85 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.505 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 9.0 mt -46.94 -42.17 17.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.574 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 11.0 t -68.64 -37.06 79.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.614 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -55.99 -40.94 83.7 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -69.5 -56.0 8.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.808 0.337 . . . . 0.0 110.555 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -50.48 -36.82 35.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.413 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -70.92 -40.28 72.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.573 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -52.59 -54.61 30.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.569 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . 0.458 ' CD1' ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -59.44 -45.34 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.502 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -60.96 -29.55 69.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.457 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 58.1 mm-40 -97.9 88.48 4.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.574 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -60.57 154.61 20.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.591 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -55.71 -88.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.571 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 90.38 -68.83 2.37 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.599 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.53 113.79 25.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.624 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.96 -150.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.614 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.2 p -141.88 68.57 23.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.559 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -49.03 152.81 4.48 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.703 2.269 . . . . 0.0 112.099 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.05 40.68 1.13 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.597 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.7 t -94.55 110.58 22.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.553 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.58 176.51 17.68 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -75.13 144.84 30.32 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.903 2.402 . . . . 0.0 112.064 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.27 45.44 1.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.528 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.53 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER -81.67 56.96 3.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.501 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.504 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 6.8 mp -94.74 173.3 7.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.427 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.465 ' SD ' ' CE2' ' A' ' 54' ' ' PHE . 53.1 mtm -63.59 167.19 5.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.088 179.336 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.3 OUTLIER -87.24 145.63 38.29 Favored Pre-proline 0 CA--C 1.536 0.44 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.728 -179.606 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -40.55 -51.33 3.51 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.289 1.993 . . . . 0.0 112.37 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.516 ' CG ' ' N ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -61.9 -49.23 77.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.927 -179.587 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.516 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 3.5 mm -48.68 -53.88 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.057 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -58.24 -60.2 4.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.786 0.327 . . . . 0.0 110.559 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.3 p -49.24 -24.21 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.573 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.491 ' OG ' ' N ' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -69.79 -62.78 1.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.761 -179.739 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.605 ' ND2' ' CD2' ' A' ' 22' ' ' PHE . 7.8 p-10 -71.47 0.41 8.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.763 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.605 ' CD2' ' ND2' ' A' ' 21' ' ' ASN . 34.4 m-85 -133.38 22.14 4.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.485 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.29 0.4 10.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.643 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 56.55 173.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.565 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 49.82 35.73 24.82 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.507 ' CD1' ' HE1' ' A' ' 98' ' ' TRP . 10.3 pt -82.17 -167.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.321 . . . . 0.0 110.684 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.45 -39.14 0.02 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -161.63 120.03 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.716 0.293 . . . . 0.0 110.476 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -160.0 -79.79 0.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.602 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -178.86 111.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.583 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.432 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 61.8 p -48.8 130.93 18.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.601 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -106.33 141.1 38.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.521 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.2 tp -135.52 111.07 9.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.484 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.434 ' SG ' ' O ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -106.0 109.47 21.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.245 179.648 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.437 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 23.8 p90 -102.22 142.9 32.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.56 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -132.01 143.47 50.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.506 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.454 ' CB ' ' ND1' ' A' ' 51' ' ' HIS . 13.4 t -111.66 123.01 67.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.548 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -137.52 138.97 40.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.584 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -95.88 145.96 24.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.539 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mp -101.34 121.34 41.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.555 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -135.34 111.71 9.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.659 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.493 ' C ' ' H ' ' A' ' 44' ' ' THR . 11.2 m-20 54.82 43.98 29.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.569 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.77 -26.94 1.11 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.493 ' H ' ' C ' ' A' ' 42' ' ' ASN . 9.4 m -72.37 113.83 9.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.773 0.32 . . . . 0.0 110.524 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.1 p -89.85 133.36 34.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.651 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.5 t -129.04 125.29 62.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.412 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.07 152.65 21.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.658 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.517 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -99.39 157.7 16.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.513 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.83 -50.34 5.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.59 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -100.15 73.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.335 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.454 ' ND1' ' CB ' ' A' ' 37' ' ' VAL . 9.3 t-80 -172.85 -7.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.426 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.517 ' NH2' ' O ' ' A' ' 48' ' ' MET . 8.3 ptp180 -100.65 170.89 8.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.56 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.7 176.39 47.19 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 3.9 p90 -141.02 143.39 34.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.686 0.279 . . . . 0.0 110.694 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mp -132.17 163.41 28.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.415 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.526 ' CD2' ' H ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -135.93 152.7 51.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.541 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.485 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 7.1 p-10 -52.17 152.64 3.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.528 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 57.41 82.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.603 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.13 -133.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.502 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -109.67 173.21 6.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.569 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.1 46.58 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.604 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.4 mp -68.58 -34.25 75.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.555 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.478 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 8.9 mp -61.27 -22.62 65.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.666 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 77.4 m -72.66 0.83 9.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.573 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.504 ' O ' ' N ' ' A' ' 67' ' ' TYR . . . 103.84 -12.87 53.29 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -61.51 74.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.72 0.295 . . . . 0.0 110.576 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.504 ' N ' ' O ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER -115.69 155.93 26.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.52 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 48.3 36.07 15.83 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.431 ' CG ' HH11 ' A' ' 69' ' ' ARG . 0.0 OUTLIER -99.97 134.54 42.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.786 0.327 . . . . 0.0 110.563 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.578 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -98.38 147.58 24.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.588 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -45.01 -45.43 10.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.545 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -42.34 -48.72 5.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.514 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 28.2 mt -65.39 -54.1 33.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.614 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.04 -33.14 10.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.623 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.449 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 6.9 t80 -72.02 -50.03 31.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.681 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.47 -20.1 64.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.873 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.55 -33.88 53.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.119 -179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.419 ' O ' ' OG ' ' A' ' 81' ' ' SER . 3.9 pp -98.33 8.22 45.15 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.854 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.569 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -62.99 -41.6 71.89 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 28.9 Cg_exo -58.81 -17.43 36.39 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.107 1.871 . . . . 0.0 111.824 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 78' ' ' LEU . 85.9 p -59.35 -9.01 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.661 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.0 mt -105.67 -47.44 3.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.582 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 65.94 49.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.613 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 37.0 mt -59.53 134.12 56.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.468 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.37 159.27 33.14 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.496 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -70.52 -21.45 29.95 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.436 2.09 . . . . 0.0 112.086 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.31 -83.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.638 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.563 ' NE2' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -82.17 160.43 23.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.659 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.9 mm -89.66 155.03 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.458 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -137.33 167.2 22.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.825 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -145.18 116.75 8.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.514 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.1 t -98.58 112.79 31.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.275 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.27 117.62 30.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.628 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -100.99 132.13 46.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.714 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.434 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 13.8 m-85 -127.12 103.31 7.37 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 178.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.91 146.18 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.132 -177.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.438 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 29.6 p -97.42 -28.84 13.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.817 178.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.507 ' HE1' ' CD1' ' A' ' 26' ' ' ILE . 8.2 m95 -112.22 136.57 51.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.545 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.35 162.53 0.65 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.491 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -69.59 172.93 11.58 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.631 2.22 . . . . 0.0 112.224 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.568 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 20.1 p -111.96 -139.13 0.38 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.455 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.568 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -46.66 95.91 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.491 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.463 ' OG ' ' CB ' ' A' ' 139' ' ' ALA . 36.9 m -39.36 -25.29 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.687 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.501 ' N ' ' O ' ' A' ' 102' ' ' PHE . 5.7 t90 -85.9 -31.41 22.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.574 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -78.54 -62.08 2.34 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.74 -68.78 0.39 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.785 0.326 . . . . 0.0 111.064 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.45 -58.47 7.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.065 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -42.16 -51.6 5.18 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.42 ' OE2' ' O ' ' A' ' 105' ' ' GLY . 15.3 mt-10 -54.21 -42.71 70.09 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.345 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 100.0 t -68.37 -38.58 79.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.564 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.521 ' NH2' ' OE1' ' A' ' 115' ' ' GLN . 44.8 ttt85 -54.04 -58.99 5.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.425 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.83 -53.87 28.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.42 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.516 ' O ' ' ND2' ' A' ' 117' ' ' ASN . 23.5 t80 -50.41 -36.85 34.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.634 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.47 ' C ' ' H ' ' A' ' 116' ' ' GLU . 3.2 mp -74.72 -58.58 3.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.616 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.521 ' OE1' ' NH2' ' A' ' 111' ' ' ARG . 14.6 mt-30 -47.88 -15.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.317 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.47 ' H ' ' C ' ' A' ' 114' ' ' LEU . 2.6 tp10 -106.41 -46.47 4.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.565 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.516 ' ND2' ' O ' ' A' ' 113' ' ' PHE . 20.7 m-80 -101.38 38.14 1.65 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.81 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.44 ' C ' ' H ' ' A' ' 120' ' ' VAL . 0.0 OUTLIER -45.49 -15.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.833 -179.819 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' ' 117' ' ' ASN . 1.3 p80 -76.21 13.09 0.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.52 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.44 ' H ' ' C ' ' A' ' 118' ' ' THR . 62.8 t -131.13 144.49 37.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.46 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -91.55 148.44 22.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.599 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.29 112.38 12.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.439 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 59.1 mtp85 -120.39 117.84 28.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.013 179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.6 mt -105.3 133.58 49.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.055 0.455 . . . . 0.0 111.092 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -127.75 118.0 22.95 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.75 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -95.49 112.67 24.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.232 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -84.26 -40.91 17.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.744 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.438 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -138.26 139.02 39.0 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.783 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.523 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 1.1 mt -95.64 120.92 45.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.595 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.523 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 3.7 m-85 -166.52 116.55 0.93 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.382 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -146.96 -174.67 4.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.486 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . 0.419 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 1.3 m-85 -89.14 -12.78 40.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.563 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 132' ' ' TYR . 0.5 OUTLIER -159.65 161.04 27.51 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.446 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.93 44.24 0.51 Allowed 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.494 2.129 . . . . 0.0 111.913 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.8 tp -90.08 -3.66 57.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.712 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -63.51 -28.65 70.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.577 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.86 -53.97 10.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.511 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -50.84 -35.13 30.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.47 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.463 ' CB ' ' OG ' ' A' ' 103' ' ' SER . . . -72.5 -42.12 65.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.569 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.39 -38.4 53.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.445 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.427 ' NE2' ' CG2' ' A' ' 193' ' ' ILE . 49.2 mm-40 -82.57 -60.56 2.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.758 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 3.6 ttt -47.54 -30.96 3.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.688 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 20.4 tp -76.97 -54.28 6.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.484 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.18 -24.25 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.673 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -68.26 -1.81 6.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.727 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -104.39 -23.35 13.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.559 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 105.95 -3.66 38.62 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -62.1 156.99 20.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.346 . . . . 0.0 110.482 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -93.64 133.24 37.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.59 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.21 110.39 16.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.537 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.52 162.19 37.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.757 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 5.2 mt -87.68 133.18 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.382 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 6.6 tpp -41.61 105.64 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.494 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.07 159.07 20.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.514 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -44.44 -54.71 5.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.65 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -51.62 -50.87 59.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.588 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -57.87 -44.9 86.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.616 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -52.09 -46.53 65.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.59 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . 0.521 ' NZ ' ' O ' ' A' ' 173' ' ' PHE . 1.8 tpmt? -56.71 -48.01 78.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.751 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.639 ' ND1' ' N ' ' A' ' 161' ' ' CYS . 0.1 OUTLIER -64.69 -57.12 9.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.801 -179.699 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.639 ' N ' ' ND1' ' A' ' 160' ' ' HIS . 0.1 OUTLIER -54.42 -23.87 17.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 -179.327 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' TRP . . . . . 0.618 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 6.2 t-105 -75.08 -70.52 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.9 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . 0.618 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 2.1 p30 -62.69 -14.19 41.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.231 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 99.7 m -86.17 -24.49 26.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.458 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -121.3 16.6 11.44 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.444 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 52.6 t -136.14 142.65 38.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.767 0.317 . . . . 0.0 110.806 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . 0.524 ' C ' ' H ' ' A' ' 169' ' ' GLN . 20.0 p-10 -80.82 42.96 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.953 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.658 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -53.27 -8.52 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.425 -179.718 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . 0.524 ' H ' ' C ' ' A' ' 167' ' ' ASP . 31.2 mt-30 46.79 13.44 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.749 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . 0.658 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 113.71 37.91 1.24 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . 0.556 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 1.7 m -127.15 81.01 70.74 Favored Pre-proline 0 C--N 1.332 -0.179 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -48.93 148.51 9.04 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 122.478 2.119 . . . . 0.0 112.278 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . 0.521 ' O ' ' NZ ' ' A' ' 159' ' ' LYS . 0.2 OUTLIER -95.61 120.16 35.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.597 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.519 ' O ' ' CE1' ' A' ' 173' ' ' PHE . 21.7 mt-30 -77.51 156.33 80.96 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.364 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.24 140.98 34.92 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 122.372 2.048 . . . . 0.0 112.143 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 1.2 p90 -83.37 -173.06 4.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.414 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -87.45 86.68 7.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.623 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 144.67 -12.47 1.97 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.4 tt -51.33 -42.41 61.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.771 0.32 . . . . 0.0 110.585 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . 0.45 ' N ' ' OD1' ' A' ' 180' ' ' ASP . 1.8 m-20 -68.03 -61.16 1.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.643 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -46.53 -52.9 12.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.608 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -55.39 -53.61 54.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.515 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 68.1 m -50.21 -37.01 33.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.643 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -73.5 -55.0 6.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.605 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -47.53 -56.02 7.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.494 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 7.4 mt -56.55 -53.8 53.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.496 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 75.4 p -51.82 -29.23 18.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.471 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -66.66 -52.03 37.24 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -59.04 -56.04 27.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.818 0.342 . . . . 0.0 110.547 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -50.01 -59.31 4.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.497 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . 0.417 ' NH1' ' OE1' ' A' ' 197' ' ' GLN . 33.9 ttm-85 -46.74 -49.66 19.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.603 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -55.15 -37.59 67.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.565 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . 0.427 ' CG2' ' NE2' ' A' ' 141' ' ' GLN . 36.5 mt -75.77 -31.9 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.578 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' A' ' 195' ' ' GLN . 5.1 mp -77.58 -30.77 52.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.586 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . 0.423 ' CB ' ' O ' ' A' ' 194' ' ' LEU . 0.0 OUTLIER 75.88 -44.42 0.51 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.607 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 196' ' ' ASN . . . . . 0.416 ' H ' ' C ' ' A' ' 194' ' ' LEU . 12.6 p-10 -150.24 127.69 11.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.549 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . 0.417 ' OE1' ' NH1' ' A' ' 191' ' ' ARG . 3.3 pt20 -101.09 -32.75 10.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.546 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 178.01 -173.86 46.32 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 1.6 p30 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.639 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 mmt . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.7 -179.92 8.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.609 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 73.68 38.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.648 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.572 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -66.4 -43.81 54.5 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.938 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 4' ' ' SER . 58.5 Cg_endo -86.83 176.72 4.44 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.714 2.276 . . . . 0.0 112.155 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 7' ' ' SER . . . -115.12 20.18 15.17 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.583 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.422 ' O ' ' O ' ' A' ' 6' ' ' ALA . 1.8 t 55.82 109.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.644 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.72 173.86 49.56 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -66.62 -52.61 0.71 Allowed 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.739 2.292 . . . . 0.0 112.15 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 40.08 -104.72 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.487 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -173.33 107.47 0.15 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.409 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.608 ' CD2' ' N ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -108.63 172.87 6.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.893 -179.861 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.0 mtm -88.88 133.19 34.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.197 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.18 145.12 13.68 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.589 -179.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -41.02 -55.46 2.07 Favored 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 122.249 1.966 . . . . 0.0 112.248 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -51.03 69.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.152 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mm -48.58 -33.44 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.559 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -77.22 -60.9 2.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.521 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -46.39 -40.89 12.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.581 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.7 t -66.52 -44.3 82.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.56 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.623 ' ND2' ' CE1' ' A' ' 32' ' ' TYR . 9.8 m120 -66.93 -11.53 56.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.64 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -133.23 28.47 4.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.464 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -68.55 118.34 11.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.523 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -41.51 115.62 0.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.52 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.84 81.07 1.39 Allowed Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.5 pt -103.56 -173.98 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.84 0.352 . . . . 0.0 110.575 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.46 9.66 0.03 OUTLIER Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.545 ' O ' ' CZ2' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -79.35 172.42 13.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 110.715 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.458 ' ND1' ' N ' ' A' ' 29' ' ' HIS . 9.2 p-80 -105.79 60.92 0.66 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.934 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -150.72 52.71 0.87 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.66 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.6 m -46.21 137.77 5.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.517 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.623 ' CE1' ' ND2' ' A' ' 21' ' ' ASN . 1.3 m-85 -106.79 143.21 35.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.453 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.3 tp -135.74 111.95 9.73 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.49 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.488 ' SG ' ' O ' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -105.49 115.83 30.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.869 179.306 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.459 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 26.3 p90 -112.98 147.39 37.24 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.176 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -148.91 137.18 20.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.26 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -95.84 146.08 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.673 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -144.25 118.95 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.394 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -79.52 133.48 36.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.407 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 mp -91.79 130.57 37.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.549 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -135.24 102.78 5.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.542 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 55.36 38.6 30.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.625 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.98 -27.13 9.41 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 m -72.16 122.07 20.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.524 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 p -91.67 116.86 29.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.605 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.0 t -103.03 100.67 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.549 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.406 ' HZ1' ' CB ' ' A' ' 47' ' ' LYS . 3.3 ttpm? -78.65 125.63 29.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.485 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.6 mtm -87.9 140.52 29.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.619 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.89 -41.51 13.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.43 62.72 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.436 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.451 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 59.9 t-80 -170.95 2.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.517 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -101.01 151.5 21.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.579 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.81 174.85 36.68 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -145.21 141.6 28.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 110.73 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mt -126.96 177.71 6.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.416 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -136.43 145.12 44.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.603 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 56' ' ' HIS . 0.4 OUTLIER -51.4 -175.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -42.32 146.88 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.546 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -139.88 -77.57 0.32 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.559 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -135.68 16.52 3.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.521 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -87.04 33.31 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.542 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.9 mp -85.64 -39.48 17.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.587 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.473 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 9.7 mp -73.25 -20.13 60.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.58 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 6.9 m -76.98 -15.41 59.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.526 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.5 48.19 1.71 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.577 ' CD1' ' NH1' ' A' ' 69' ' ' ARG . 26.1 m-85 -152.24 71.65 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.754 0.312 . . . . 0.0 110.572 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -93.95 116.39 28.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.551 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.4 69.96 1.21 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.577 ' NH1' ' CD1' ' A' ' 66' ' ' PHE . 4.0 ttt180 -134.23 107.95 7.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 110.567 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.593 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -62.38 159.88 14.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.624 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.51 -31.77 72.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.344 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -53.2 -52.24 59.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.385 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.46 -46.43 83.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.294 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -34.43 69.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.555 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.413 ' C ' ' N ' ' A' ' 77' ' ' ASP . 9.6 t80 -74.67 -64.36 1.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.453 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 tp -47.32 -18.99 0.13 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.67 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 75' ' ' PHE . 13.8 t70 -67.0 -53.9 26.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.647 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.425 ' O ' ' OG ' ' A' ' 81' ' ' SER . 1.6 pp -77.95 -14.38 59.55 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.399 -179.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.406 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 3.8 t -48.26 -59.41 6.02 Favored Pre-proline 0 CA--C 1.534 0.355 0 C-N-CA 120.666 -0.413 . . . . 0.0 111.061 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.419 ' C ' ' H ' ' A' ' 82' ' ' LEU . 9.6 Cg_endo -52.3 -25.97 25.78 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 121.777 1.652 . . . . 0.0 112.057 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 78' ' ' LEU . 8.2 p -53.79 -12.23 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.459 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.419 ' H ' ' C ' ' A' ' 80' ' ' PRO . 10.5 mt -94.35 -26.33 16.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.344 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.418 ' CB ' ' O ' ' A' ' 82' ' ' LEU . 5.3 tt0 75.6 28.52 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.655 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 mt -42.4 104.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.325 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.43 162.9 28.53 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.735 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.91 4.08 3.42 Favored 'Trans proline' 0 C--N 1.309 -1.54 0 C-N-CA 122.73 2.287 . . . . 0.0 112.279 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -38.75 -63.63 0.5 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.5 ' NE2' ' H ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -127.87 179.6 5.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.389 179.739 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.2 mm -84.77 152.94 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.043 0.449 . . . . 0.0 110.556 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -135.36 172.09 13.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.548 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.617 ' NH1' ' NH2' ' A' ' 123' ' ' ARG . 8.6 ttt180 -149.69 106.7 3.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.595 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.2 t -94.0 115.49 32.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.368 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.48 121.99 42.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.749 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 32.3 m0 -100.78 131.16 46.8 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.455 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.488 ' O ' ' SG ' ' A' ' 34' ' ' CYS . 24.8 m-85 -118.79 102.82 9.1 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.94 148.3 14.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.169 0.509 . . . . 0.0 111.789 -178.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.452 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 15.5 p -96.64 -23.56 16.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.14 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.545 ' CZ2' ' O ' ' A' ' 28' ' ' ARG . 4.8 m95 -112.11 170.0 8.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.504 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.434 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.4 OUTLIER -79.79 158.65 72.76 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.528 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.434 ' O ' ' O ' ' A' ' 99' ' ' SER . 56.2 Cg_exo -42.48 172.92 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.304 0 C-N-CA 122.546 2.164 . . . . 0.0 112.375 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 102' ' ' PHE . 3.4 p -152.33 100.41 2.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.437 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.407 ' CB ' ' O ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER 76.27 86.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.388 0.613 . . . . 0.0 109.813 -179.596 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.414 ' O ' ' CB ' ' A' ' 107' ' ' ALA . 92.8 p -51.22 -29.83 15.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.41 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -81.71 -21.44 37.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.775 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -84.74 -58.83 2.07 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 11.9 m -78.25 -65.47 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.721 0.296 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 103' ' ' SER . . . -54.67 -25.36 26.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.708 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -70.59 -57.85 6.3 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -57.73 -40.66 80.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.19 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 85.5 t -68.79 -54.02 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.182 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -41.91 -58.79 1.92 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.241 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.85 -40.03 69.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.45 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 117' ' ' ASN . 10.2 t80 -53.96 -40.38 66.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.74 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.44 ' C ' ' N ' ' A' ' 116' ' ' GLU . 25.7 mt -75.62 -55.2 5.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.572 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -46.66 -19.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.254 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 114' ' ' LEU . 2.5 mt-10 -110.0 -38.61 5.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.644 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 113' ' ' PHE . 50.9 m-80 -132.59 61.73 1.66 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.908 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.26 5.66 3.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.647 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.402 ' CD2' ' C ' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -76.21 5.77 6.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.458 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.2 p -122.0 142.98 36.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.355 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -91.13 117.03 29.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.357 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.45 120.83 42.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.488 -179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.617 ' NH2' ' NH1' ' A' ' 91' ' ' ARG . 30.6 mtt180 -127.59 131.85 49.89 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.836 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.6 mp -106.23 131.86 54.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.693 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.522 ' CE1' ' OE2' ' A' ' 157' ' ' GLU . 63.5 m-85 -125.42 100.77 6.64 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.343 178.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -90.57 107.78 19.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.515 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.52 -39.6 67.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.423 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.452 ' CB ' ' O ' ' A' ' 97' ' ' SER . 5.6 tpp180 -131.95 164.64 25.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.177 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.523 ' O ' ' CD1' ' A' ' 130' ' ' TYR . 4.8 mp -124.21 114.73 42.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.821 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.523 ' CD1' ' O ' ' A' ' 129' ' ' ILE . 27.9 m-85 -153.37 109.1 3.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.434 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -140.84 -177.2 4.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.576 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -106.74 -57.47 2.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.711 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 133' ' ' ASP . 0.0 OUTLIER -98.49 162.62 21.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.573 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -70.67 12.17 0.44 Allowed 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.59 2.193 . . . . 0.0 112.202 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.428 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.1 mp -57.77 -20.13 32.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.63 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.625 ' CD1' ' N ' ' A' ' 137' ' ' LYS . 0.5 OUTLIER -53.88 -31.05 48.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.368 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.625 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 12.6 ttmt -69.34 -39.72 77.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.266 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.65 -26.62 68.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.313 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -70.79 -55.2 9.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.347 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.2 mt -54.14 -31.98 53.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.465 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 137' ' ' LYS . 2.8 mp0 -80.57 -60.7 2.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.677 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.9 mmm -52.44 -21.61 3.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.366 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 9.3 mt -78.44 -59.65 2.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.364 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -49.83 -29.39 7.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.523 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.97 -42.73 47.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.435 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.49 -24.0 65.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.507 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 96.89 65.11 0.92 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -136.99 152.36 50.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.749 0.309 . . . . 0.0 110.429 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -91.47 104.89 17.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.667 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -104.31 113.82 42.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.569 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.5 m -151.31 161.53 42.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.516 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -81.93 137.65 20.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.458 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.59 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 5.8 ttm -49.59 143.57 6.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.491 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 33.4 p -110.61 172.36 6.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.557 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -63.84 -41.17 97.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.528 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -62.07 -47.24 85.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.444 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . 0.522 ' OE2' ' CE1' ' A' ' 125' ' ' PHE . 12.6 mt-10 -59.11 -31.77 69.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.454 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.59 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.7 OUTLIER -64.72 -44.0 91.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.446 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -57.66 -47.01 83.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.634 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.596 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -70.44 -55.48 8.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.677 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.596 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 9.7 t -54.29 -23.62 15.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' TRP . . . . . 0.63 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.7 t-105 -73.96 -70.3 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.973 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . 0.63 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 3.9 p30 -64.38 -14.32 55.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 -179.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 88.7 m -83.77 -24.92 30.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.928 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -121.13 18.74 11.6 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.147 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.542 ' C ' ' H ' ' A' ' 168' ' ' HIS . 72.4 t -139.15 132.63 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.859 0.361 . . . . 0.0 110.803 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . 0.541 ' C ' ' H ' ' A' ' 169' ' ' GLN . 2.0 p30 -72.56 41.06 0.09 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.172 0.51 . . . . 0.0 109.763 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.655 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -52.51 -8.72 0.09 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.304 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . 0.541 ' H ' ' C ' ' A' ' 167' ' ' ASP . 39.9 mm-40 46.68 14.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.559 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . 0.655 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 112.58 37.56 1.42 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . 0.529 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 2.4 m -127.1 80.64 71.26 Favored Pre-proline 0 C--N 1.333 -0.148 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -52.02 165.39 0.88 Allowed 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.616 2.21 . . . . 0.0 112.227 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . 0.533 ' CE2' ' O ' ' A' ' 174' ' ' GLN . 0.0 OUTLIER -122.79 134.46 54.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.189 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.533 ' O ' ' CE2' ' A' ' 173' ' ' PHE . 11.1 mt-30 -91.51 152.57 43.67 Favored Pre-proline 0 C--N 1.33 -0.281 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.456 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -71.94 153.69 58.17 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.263 1.976 . . . . 0.0 112.194 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' TRP . . . . . 0.566 ' CE2' ' CD2' ' A' ' 179' ' ' LEU . 14.6 p90 -84.47 132.64 34.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.492 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -45.33 95.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.564 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 176' ' ' TRP . . . 154.05 -15.46 0.59 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . 0.566 ' CD2' ' CE2' ' A' ' 176' ' ' TRP . 0.2 OUTLIER -47.77 -47.9 30.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.768 0.318 . . . . 0.0 110.514 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . 0.405 ' CG ' ' N ' ' A' ' 181' ' ' GLU . 17.7 p-10 -53.08 -53.04 56.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.64 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . 0.405 ' N ' ' CG ' ' A' ' 180' ' ' ASP . 44.9 mt-10 -61.52 -54.05 48.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.756 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -51.87 -60.78 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.628 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 92.0 p -45.05 -43.54 9.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.06 -36.53 79.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.541 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -71.77 -58.63 3.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.593 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 42.9 mt -59.43 -61.28 2.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.609 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' SER . . . . . 0.593 ' HG ' ' N ' ' A' ' 188' ' ' GLY . 24.0 p -49.86 -36.58 27.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . 0.593 ' N ' ' HG ' ' A' ' 187' ' ' SER . . . -55.65 -51.48 54.66 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -59.34 -61.52 2.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.759 0.314 . . . . 0.0 110.694 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.4 tp -45.37 -53.54 8.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.605 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 18.7 mmm-85 -54.6 -29.18 50.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -64.71 -47.85 76.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.456 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . 0.421 ' CD1' ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -59.64 -35.2 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.505 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 67.4 mt -77.05 -19.53 57.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.657 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -99.95 91.17 4.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.592 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.11 156.68 16.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.595 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -74.61 148.18 40.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.555 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 136.06 -64.96 0.57 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.024 -0.988 . . . . 0.0 110.586 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 mtt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.8 149.0 41.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.611 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.77 -99.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.572 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.4 m -171.14 69.72 0.5 Allowed Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.541 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -49.02 145.26 14.13 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.861 2.374 . . . . 0.0 112.098 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -151.65 133.13 14.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.521 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 p -93.64 125.7 38.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.606 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -154.26 67.74 0.31 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -49.39 111.4 0.49 Allowed 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.799 2.333 . . . . 0.0 112.151 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.7 mtm-85 -149.46 178.36 8.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.568 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.462 ' CD2' ' H ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER -75.15 82.32 2.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.546 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.429 ' CD2' HH22 ' A' ' 52' ' ' ARG . 8.6 mp -107.38 173.65 6.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.243 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.484 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 0.5 OUTLIER -62.71 157.49 20.87 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.63 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.81 150.13 58.37 Favored Pre-proline 0 CA--C 1.534 0.335 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.698 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.42 ' O ' ' OG1' ' A' ' 19' ' ' THR . 69.1 Cg_exo -41.85 -55.45 2.38 Favored 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.209 1.939 . . . . 0.0 112.148 179.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -52.27 -51.07 60.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.189 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.4 mm -51.69 -34.54 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.859 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -82.44 -61.27 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.948 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -52.76 -24.17 8.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.693 -179.818 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.9 p -82.4 -62.76 1.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.713 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.487 ' ND2' ' CE2' ' A' ' 22' ' ' PHE . 2.0 t30 -54.18 -33.37 57.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.553 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.487 ' CE2' ' ND2' ' A' ' 21' ' ' ASN . 56.9 m-85 -103.66 24.49 11.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.574 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -68.46 74.05 0.24 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.537 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 m120 46.72 -136.5 0.79 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.542 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.68 136.95 48.81 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.3 pt -134.28 -175.58 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.654 0.264 . . . . 0.0 110.352 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 175.57 44.97 0.06 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.686 ' HE ' ' N ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -125.99 142.06 51.68 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.871 0.367 . . . . 0.0 110.166 179.523 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.412 ' ND1' ' N ' ' A' ' 29' ' ' HIS . 7.7 m80 -63.61 80.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.763 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -166.9 36.96 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.592 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.1 p -46.52 155.79 0.21 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -122.26 145.13 48.51 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.719 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.2 tp -139.94 111.97 7.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.146 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.25 131.91 51.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.089 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.599 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 10.3 p90 -127.28 135.37 50.48 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.128 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.98 136.96 40.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.898 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -95.52 144.29 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.005 0.431 . . . . 0.0 110.9 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -147.1 118.39 7.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.347 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.5 ptt85 -86.75 148.75 25.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.476 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mt -103.6 99.46 9.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.607 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.416 ' O ' ' OG1' ' A' ' 44' ' ' THR . 0.5 OUTLIER -93.62 100.48 12.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.594 179.898 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.463 ' N ' HD21 ' A' ' 42' ' ' ASN . 1.1 m-80 50.53 58.02 5.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.64 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 71.85 -6.51 9.32 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 41' ' ' ASP . 0.6 OUTLIER -91.97 102.5 15.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 110.58 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.411 ' O ' ' OG ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -72.33 103.58 3.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.563 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.7 t -101.29 106.34 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.566 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -80.86 137.7 36.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.451 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.5 mtm -102.33 141.62 34.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.694 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -92.34 -50.47 5.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.616 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -76.72 49.81 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.306 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.533 ' NE2' ' CD1' ' A' ' 82' ' ' LEU . 40.2 t-80 -169.91 67.02 0.05 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.22 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.518 ' NH2' ' O ' ' A' ' 164' ' ' THR . 25.2 ptt85 -166.89 167.55 14.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.289 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -168.67 -174.88 37.72 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 9.6 p90 -152.7 135.84 15.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.689 0.28 . . . . 0.0 110.707 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mp -126.05 163.15 23.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.461 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -128.8 143.58 50.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.488 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.416 ' CG ' ' N ' ' A' ' 58' ' ' GLN . 1.9 t30 -59.93 159.12 9.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.552 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.416 ' N ' ' CG ' ' A' ' 57' ' ' ASN . 46.9 tt0 -138.5 54.76 1.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.547 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.19 93.47 1.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -172.52 94.97 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.659 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.539 ' O ' ' N ' ' A' ' 65' ' ' GLY . 42.3 t30 -83.96 109.26 17.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.335 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.534 ' H ' ' CD1' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -45.72 -13.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.865 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.526 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 8.2 mp -88.63 -52.09 5.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.123 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.22 -32.5 5.96 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.944 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 61' ' ' ASN . . . 86.94 49.68 3.97 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -155.3 -66.63 0.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.773 0.321 . . . . 0.0 110.723 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.621 ' CG ' ' N ' ' A' ' 68' ' ' GLY . 2.0 t80 -49.1 160.55 0.2 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.667 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.621 ' N ' ' CG ' ' A' ' 67' ' ' TYR . . . 165.56 -159.23 32.37 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -137.34 131.54 32.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 0.0 110.496 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.646 ' CD2' ' H ' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -69.62 156.04 39.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.513 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.16 -29.13 65.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.455 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.403 ' OE1' ' N ' ' A' ' 72' ' ' GLU . 3.4 mp0 -51.2 -47.07 62.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.612 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 25.2 mt -69.47 -58.07 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.807 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 48.8 mtt-85 -44.2 -43.72 7.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.691 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.599 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 32.5 t80 -61.58 -51.18 69.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.593 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.5 tp -56.59 -19.47 16.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.471 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.9 -45.2 68.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.476 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.85 3.81 55.01 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.304 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.424 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.6 t -55.72 -49.19 94.21 Favored Pre-proline 0 CA--C 1.535 0.388 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.077 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 36.4 Cg_endo -70.66 -16.47 33.78 Favored 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 121.337 1.358 . . . . 0.0 111.745 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.2 p -56.75 -22.09 33.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.216 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.533 ' CD1' ' NE2' ' A' ' 51' ' ' HIS . 4.0 mm? -72.42 -38.9 68.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.178 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.486 ' CB ' ' O ' ' A' ' 82' ' ' LEU . 4.0 tt0 81.59 46.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.877 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.06 155.95 38.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.21 179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -122.26 159.05 53.85 Favored Pre-proline 0 CA--C 1.53 0.181 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.567 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -74.84 -1.98 11.9 Favored 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.46 2.107 . . . . 0.0 112.227 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.472 ' C ' ' NE2' ' A' ' 88' ' ' GLN . . . -40.1 -77.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.786 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.596 ' NE2' ' N ' ' A' ' 88' ' ' GLN . 0.2 OUTLIER -107.98 179.84 4.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.322 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.0 mm -84.62 153.33 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.377 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -126.12 143.79 50.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.914 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.662 HH12 HE22 ' A' ' 149' ' ' GLN . 1.6 ttt-85 -128.59 103.9 7.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.497 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.2 t -95.41 127.54 47.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.055 0.455 . . . . 0.0 110.432 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.3 120.55 39.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.972 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -100.84 132.51 46.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.252 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -124.84 103.71 8.22 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.81 146.5 16.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.43 . . . . 0.0 112.05 -177.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 128' ' ' ARG . 0.4 OUTLIER -96.9 -25.69 15.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.756 178.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 19.9 m95 -112.87 143.56 43.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.111 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.433 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.4 OUTLIER -74.79 164.51 60.89 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.605 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 99' ' ' SER . 71.1 Cg_exo -42.27 171.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.549 2.166 . . . . 0.0 112.202 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -124.05 -48.53 1.87 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.299 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.525 ' O ' ' N ' ' A' ' 105' ' ' GLY . 2.4 t80 -140.38 106.56 5.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.829 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 89.1 p -40.5 -35.25 0.43 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.046 -179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -84.78 -23.68 29.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.312 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -84.79 -62.0 1.72 Allowed Glycine 0 CA--C 1.526 0.745 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.236 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.69 -62.84 1.31 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.654 0.264 . . . . 0.0 110.966 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.42 -37.75 73.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.92 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -56.59 -62.71 6.05 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -51.46 -41.13 60.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.766 0.317 . . . . 0.0 110.712 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 92.8 t -68.2 -34.96 69.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.702 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -62.45 -58.95 5.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.567 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -48.96 -51.45 30.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.402 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.52 ' O ' ' N ' ' A' ' 117' ' ' ASN . 41.3 t80 -52.78 -47.83 67.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.592 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.408 ' C ' ' N ' ' A' ' 116' ' ' GLU . 2.1 mt -63.33 -58.69 6.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.717 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -48.06 -19.6 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.547 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 114' ' ' LEU . 4.2 tp10 -107.61 -27.31 10.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 113' ' ' PHE . 33.7 m120 -117.51 40.1 3.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 16.2 p -45.14 -22.57 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.795 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.49 ' O ' ' CG ' ' A' ' 119' ' ' HIS . 0.1 OUTLIER -77.67 8.9 3.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.931 0.396 . . . . 0.0 110.508 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' A' ' 117' ' ' ASN . 40.2 t -135.24 97.54 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.545 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -96.59 148.89 22.37 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.62 153.31 42.39 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.858 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -114.35 146.51 40.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.079 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.8 mp -112.82 140.02 34.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.097 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -127.5 99.03 5.44 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.167 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -78.54 114.33 17.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.602 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -85.24 -42.48 14.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.653 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.466 HH22 ' CE1' ' A' ' 182' ' ' HIS . 0.1 OUTLIER -137.07 152.96 50.64 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.959 -179.769 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -113.69 132.37 62.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.487 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -177.63 126.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.502 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.499 ' C ' ' H ' ' A' ' 133' ' ' ASP . 0.6 OUTLIER 174.59 133.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.527 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.72 10.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.498 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.555 ' C ' ' H ' ' A' ' 135' ' ' LEU . 69.3 m-20 -124.8 79.86 63.32 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.541 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.539 ' C ' ' H ' ' A' ' 136' ' ' TYR . 51.4 Cg_exo -51.61 -1.81 0.06 OUTLIER 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.723 2.282 . . . . 0.0 112.622 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.555 ' H ' ' C ' ' A' ' 133' ' ' ASP . 2.1 mt -54.36 -6.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.735 0.303 . . . . 0.0 110.727 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.539 ' H ' ' C ' ' A' ' 134' ' ' PRO . 0.4 OUTLIER -43.04 -38.7 2.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.87 -179.854 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.503 ' N ' ' CG ' ' A' ' 136' ' ' TYR . 2.6 ptpt -51.11 -60.4 3.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.495 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -54.73 -36.64 64.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.483 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.53 -30.93 71.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.563 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.42 -49.15 57.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.474 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.69 -53.29 14.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.509 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -45.34 -54.92 6.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.389 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 36.7 tp -56.83 -44.38 82.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.577 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -55.37 -23.64 25.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.621 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -84.81 3.15 39.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -101.62 -15.03 17.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.563 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 106.81 -26.78 18.4 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -56.95 158.25 5.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.515 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . 0.662 HE22 HH12 ' A' ' 91' ' ' ARG . 0.3 OUTLIER -104.61 146.13 29.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.664 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 46.6 t -132.09 126.67 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.496 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.26 161.92 41.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.628 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.1 tp -87.11 149.94 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.424 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 8.6 mmm -56.89 153.88 10.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.801 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 21.5 p -132.15 142.52 49.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.319 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -40.69 -47.13 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.688 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 156' ' ' ASP . 0.2 OUTLIER -59.46 -53.93 52.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.461 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -54.41 -33.33 59.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.391 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.7 -39.47 94.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.33 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -61.24 -45.55 94.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.462 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.6 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -70.12 -53.23 18.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.445 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.6 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 4.6 t -58.35 -23.55 57.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.655 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' TRP . . . . . 0.572 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 4.8 t-105 -71.74 -64.75 0.87 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . 0.572 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -69.1 -14.22 62.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.385 -179.208 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.518 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 96.3 m -85.02 -23.71 28.52 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.323 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.484 ' O ' ' SD ' ' A' ' 13' ' ' MET . 11.2 m-85 -121.54 18.76 11.26 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.524 -179.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.539 ' C ' ' H ' ' A' ' 168' ' ' HIS . 88.5 t -137.54 132.84 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.246 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . 0.493 ' C ' ' H ' ' A' ' 169' ' ' GLN . 1.4 p-10 -73.68 36.36 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.168 0.509 . . . . 0.0 109.901 179.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.671 ' CG ' ' H ' ' A' ' 171' ' ' CYS . 0.3 OUTLIER -49.25 -11.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.932 -179.601 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . 0.493 ' H ' ' C ' ' A' ' 167' ' ' ASP . 1.9 mt-30 49.3 9.75 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.922 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . 0.63 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 122.18 37.74 0.63 Allowed Glycine 0 CA--C 1.528 0.852 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . 0.671 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.6 OUTLIER -127.54 88.81 52.77 Favored Pre-proline 0 CA--C 1.536 0.414 0 N-CA-C 110.501 -0.185 . . . . 0.0 110.501 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -75.39 131.97 14.41 Favored 'Trans proline' 0 C--N 1.315 -1.22 0 C-N-CA 121.73 1.62 . . . . 0.0 112.171 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . 0.528 ' CD1' ' O ' ' A' ' 173' ' ' PHE . 0.0 OUTLIER -81.68 146.0 30.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.786 -179.657 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.485 ' O ' ' CE2' ' A' ' 173' ' ' PHE . 0.0 OUTLIER -94.46 157.27 37.56 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.445 -179.759 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -69.19 132.36 24.06 Favored 'Trans proline' 0 N--CA 1.492 1.441 0 C-N-CA 122.489 2.126 . . . . 0.0 112.054 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -70.32 153.73 42.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.58 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.85 86.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.536 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 158.3 -25.84 0.4 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -41.78 -43.75 3.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.832 0.349 . . . . 0.0 110.606 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . 0.418 ' O ' ' OG ' ' A' ' 183' ' ' SER . 0.2 OUTLIER -55.19 -62.77 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.666 -179.898 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -58.75 -55.28 37.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.497 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' HIS . . . . . 0.466 ' CE1' HH22 ' A' ' 128' ' ' ARG . 16.6 m-70 -45.4 -54.01 7.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.506 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' SER . . . . . 0.428 ' O ' ' OG ' ' A' ' 187' ' ' SER . 63.5 p -50.72 -48.59 58.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.626 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -60.8 -37.13 80.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.584 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -70.91 -65.18 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.615 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 3.5 mt -52.18 -52.56 51.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.581 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 183' ' ' SER . 8.7 m -60.51 -37.79 82.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.537 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -53.02 -53.92 31.5 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -56.5 -50.67 71.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.843 0.354 . . . . 0.0 110.612 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -59.7 -29.48 68.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.482 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 13.6 ttm-85 -78.69 -20.43 50.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -80.34 -51.3 9.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.653 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . 0.412 ' CG2' ' N ' ' A' ' 194' ' ' LEU . 16.1 tt -62.27 -46.41 96.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.586 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.412 ' N ' ' CG2' ' A' ' 193' ' ' ILE . 4.0 mt -49.03 -31.53 7.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.522 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.91 -61.28 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.63 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -82.73 -131.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.551 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 53.94 35.44 21.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 179.06 62.4 0.07 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.56 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -66.57 -162.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.522 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -147.21 111.13 5.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.524 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.504 ' H ' ' HG ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -85.06 162.8 48.24 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.432 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -69.82 -83.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 122.624 2.216 . . . . 0.0 112.143 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 168.49 104.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.512 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.8 t -68.64 -3.09 10.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.55 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.37 58.01 7.68 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -70.01 148.92 64.49 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.744 2.296 . . . . 0.0 112.05 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.486 ' C ' ' CG ' ' A' ' 11' ' ' HIS . 14.1 mtm180 -135.81 -174.31 3.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.465 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.594 ' CD2' ' N ' ' A' ' 11' ' ' HIS . 0.9 OUTLIER 77.1 33.77 0.42 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.665 0.745 . . . . 0.0 109.119 -179.537 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.04 166.68 10.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.471 -1.24 . . . . 0.0 109.394 -179.061 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.6 ptp -62.09 168.02 3.57 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.824 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.91 154.83 75.51 Favored Pre-proline 0 CA--C 1.536 0.416 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.069 -178.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -43.21 -56.06 2.5 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.552 2.168 . . . . 0.0 112.455 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -51.01 71.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.853 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.2 mm -48.95 -31.39 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.681 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -82.44 -61.04 2.0 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.68 -33.28 22.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.719 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.3 p -80.67 -36.56 32.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.457 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.536 ' ND2' ' CG ' ' A' ' 32' ' ' TYR . 10.9 t30 -67.66 -35.03 78.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.56 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -105.22 18.35 22.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.591 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -43.79 113.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.597 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.451 ' OD1' ' NH1' ' A' ' 128' ' ' ARG . 12.0 t30 -46.26 118.33 1.89 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.619 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.46 98.61 0.04 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 pp -111.18 -175.68 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.859 0.362 . . . . 0.0 110.636 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.09 -8.89 0.07 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.441 ' CD ' ' H ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -83.49 173.13 11.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.828 0.347 . . . . 0.0 110.787 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -107.54 69.52 0.75 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.558 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.57 ' CB ' ' HZ3' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -136.44 51.24 2.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.782 0.325 . . . . 0.0 110.582 179.846 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.5 p -46.5 131.92 10.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.708 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.536 ' CG ' ' ND2' ' A' ' 21' ' ' ASN . 0.5 OUTLIER -107.67 142.87 36.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.832 -179.828 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.432 ' C ' ' CD2' ' A' ' 33' ' ' LEU . 6.1 tt -139.31 116.18 10.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.65 147.04 28.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.412 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -134.69 140.57 46.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.068 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -144.15 129.38 18.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.298 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.408 ' CG1' ' SD ' ' A' ' 48' ' ' MET . 1.4 p -99.4 142.87 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.794 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -140.09 129.57 24.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.374 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -80.75 134.1 35.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.54 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mp -96.4 130.78 43.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.478 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.419 ' O ' ' OG1' ' A' ' 44' ' ' THR . 27.3 t70 -151.46 107.33 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.484 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.1 m120 52.9 46.74 26.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.538 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.64 14.21 66.95 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 41' ' ' ASP . 1.6 m -103.22 106.81 17.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.713 0.292 . . . . 0.0 110.597 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.411 ' O ' ' OG ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -82.32 107.74 15.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.576 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 25.5 t -102.78 98.42 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.579 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -70.26 128.42 36.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.549 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.518 ' O ' ' NE ' ' A' ' 52' ' ' ARG . 56.9 mtt -66.06 163.02 18.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.494 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.47 -49.96 4.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.507 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -108.7 77.08 1.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.532 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.408 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 53.0 t-80 -167.78 1.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.635 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.518 ' NE ' ' O ' ' A' ' 48' ' ' MET . 10.5 mtt180 -100.71 135.33 42.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.377 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.57 -166.18 14.41 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -167.53 140.83 3.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.74 0.305 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.1 mt -122.04 178.37 4.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.382 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -139.23 153.6 47.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.553 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -42.06 132.33 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.533 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.521 ' OE1' ' NE ' ' A' ' 74' ' ' ARG . 11.2 tt0 -99.74 163.13 12.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.655 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -152.2 -139.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.556 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt 54.28 178.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.535 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 64' ' ' CYS . 2.6 m-80 43.1 28.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.547 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.431 ' H ' ' CD1' ' A' ' 62' ' ' LEU . 0.6 OUTLIER -41.49 -38.41 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.541 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.453 ' C ' ' H ' ' A' ' 65' ' ' GLY . 1.6 mt -61.81 -40.19 94.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.542 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 61' ' ' ASN . 19.9 t -65.57 -0.07 1.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.514 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.453 ' H ' ' C ' ' A' ' 63' ' ' LEU . . . 88.63 23.75 35.36 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -94.82 9.73 37.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 0.0 110.58 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -42.2 111.88 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.567 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 41.0 75.27 0.13 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.97 135.17 34.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.851 0.358 . . . . 0.0 110.599 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -74.6 126.28 30.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.518 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.19 -30.82 12.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.588 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -54.1 -64.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.653 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.4 mt -42.9 -41.08 3.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.684 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.521 ' NE ' ' OE1' ' A' ' 58' ' ' GLN . 10.5 ttt180 -63.06 -41.03 99.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.636 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.413 ' CE1' ' CG2' ' A' ' 79' ' ' VAL . 2.0 t80 -65.87 -45.54 81.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.6 tp -65.18 -20.14 66.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.588 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -69.39 -33.11 72.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.185 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.439 ' C ' ' CD1' ' A' ' 78' ' ' LEU . 3.7 pp -103.39 3.0 34.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.704 0.287 . . . . 0.0 111.03 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.413 ' CG2' ' CE1' ' A' ' 75' ' ' PHE . 1.5 t -55.93 -48.89 95.75 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.402 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 43.4 Cg_endo -73.49 -17.24 23.87 Favored 'Trans proline' 0 N--CA 1.489 1.26 0 C-N-CA 121.471 1.448 . . . . 0.0 111.817 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.57 -11.71 54.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.338 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.3 mt -85.59 6.22 28.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.526 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 46.38 41.02 8.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.695 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.7 mt -40.96 145.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.52 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.431 ' C ' ' H ' ' A' ' 87' ' ' ALA . 7.8 m-20 -116.78 84.98 16.38 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.483 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.468 ' O ' ' N ' ' A' ' 88' ' ' GLN . 50.6 Cg_exo -50.76 -10.89 0.33 Allowed 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.335 2.024 . . . . 0.0 112.159 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.431 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -41.74 -23.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.456 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 86' ' ' PRO . 0.2 OUTLIER -139.57 178.87 6.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.342 179.876 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.1 mm -89.12 156.29 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.628 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -146.84 179.1 7.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.431 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -148.16 115.62 6.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.88 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.0 t -94.02 108.77 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.143 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.13 117.25 27.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.788 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -102.53 131.47 49.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.605 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.403 ' CE2' ' SG ' ' A' ' 161' ' ' CYS . 48.9 m-85 -124.64 102.95 7.86 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 178.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.85 141.81 23.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.72 -178.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.482 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 1.8 p -96.1 -23.05 16.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.676 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 18.5 m95 -115.41 135.08 54.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.582 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.65 162.15 0.31 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.418 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -68.49 159.57 52.9 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.555 2.17 . . . . 0.0 112.097 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.6 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 10.4 p -100.83 -149.13 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.493 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.6 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -41.23 107.72 0.08 Allowed 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.202 0.525 . . . . 0.0 109.806 179.583 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 108' ' ' GLY . 97.9 p -41.54 -24.56 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.624 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.452 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.2 OUTLIER -84.81 -26.26 27.6 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.573 -179.311 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -84.86 -61.9 1.73 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . 0.402 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 0.9 OUTLIER -75.66 -61.75 1.81 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.645 0.26 . . . . 0.0 111.655 -179.281 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.85 -35.6 77.13 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.253 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -64.47 -60.27 7.26 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.41 -29.11 65.83 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.313 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.402 ' CG2' ' O ' ' A' ' 106' ' ' CYS . 39.4 t -75.77 -36.43 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.116 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -62.84 -58.97 5.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.125 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.51 -50.93 51.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.274 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -50.44 -37.8 39.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.256 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.465 ' C ' ' H ' ' A' ' 116' ' ' GLU . 2.1 mt -73.66 -58.35 3.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.35 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -46.7 -16.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.409 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.465 ' H ' ' C ' ' A' ' 114' ' ' LEU . 1.7 tm-20 -107.91 -44.49 4.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.61 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.491 ' O ' ' N ' ' A' ' 119' ' ' HIS . 2.0 m-80 -98.89 35.43 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.77 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.484 ' C ' ' H ' ' A' ' 120' ' ' VAL . 0.0 OUTLIER -45.53 -15.66 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.831 -179.781 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.529 ' ND1' ' O ' ' A' ' 119' ' ' HIS . 4.7 p80 -76.23 17.1 0.38 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.958 0.409 . . . . 0.0 110.289 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.484 ' H ' ' C ' ' A' ' 118' ' ' THR . 42.7 t -139.37 140.33 37.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.374 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.57 ' NH1' ' NE2' ' A' ' 149' ' ' GLN . 3.1 mmp_? -91.52 120.28 32.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.442 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.14 112.33 24.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.567 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -117.08 118.82 33.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.141 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 11.3 mt -105.49 137.09 36.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.025 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -130.61 110.53 11.47 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.611 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -89.6 113.66 25.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.358 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -85.17 -45.39 12.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.784 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.482 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -131.86 142.61 49.74 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.872 0.367 . . . . 0.0 110.725 179.897 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.8 mt -103.81 107.49 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.545 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -148.76 117.53 6.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.586 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -146.22 -168.01 2.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.525 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -104.87 -23.56 12.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.691 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.508 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.2 OUTLIER -143.58 160.95 49.15 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.547 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.18 25.13 0.19 Allowed 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.606 2.204 . . . . 0.0 112.205 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.508 ' H ' ' C ' ' A' ' 133' ' ' ASP . 4.7 tt -61.44 -23.94 66.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.53 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.595 ' CD1' ' N ' ' A' ' 137' ' ' LYS . 0.6 OUTLIER -48.15 -27.92 2.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.585 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.595 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 28.3 tttt -61.68 -61.82 2.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.564 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -49.64 -41.75 43.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.527 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.19 -46.05 91.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.546 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.66 -53.07 26.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -35.47 76.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.609 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -34.61 72.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.655 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 146' ' ' ALA . 7.6 mt -75.68 -51.09 13.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.578 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.411 HH21 ' CG ' ' A' ' 197' ' ' GLN . 40.6 ttt-85 -44.88 -38.6 4.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.531 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.75 -26.93 60.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.596 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -77.99 -4.37 46.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.607 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 69.06 8.58 58.61 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -75.52 150.5 38.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 110.55 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . 0.57 ' NE2' ' NH1' ' A' ' 121' ' ' ARG . 3.8 mt-30 -83.62 128.46 34.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.569 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.06 118.45 37.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.454 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.33 162.07 38.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.608 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . 0.433 ' CG2' ' O ' ' A' ' 152' ' ' ILE . 1.1 tp -88.38 125.75 41.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.5 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.584 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 9.1 ttt -42.33 115.17 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.592 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 41.9 p -98.85 174.07 6.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.562 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -40.51 94.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.663 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -58.88 -58.67 7.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.344 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . 0.457 ' CA ' ' OE1' ' A' ' 157' ' ' GLU . 0.0 OUTLIER -51.9 -35.02 44.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.225 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.584 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 0.7 OUTLIER -62.83 -55.05 29.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.371 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -43.93 -47.82 8.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.623 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.428 ' O ' ' OG1' ' A' ' 164' ' ' THR . 0.0 OUTLIER -69.11 -46.36 67.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.934 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.403 ' SG ' ' CE2' ' A' ' 95' ' ' PHE . 0.8 OUTLIER -60.29 -64.21 1.03 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.943 -179.545 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' TRP . . . . . 0.478 ' CD1' ' N ' ' A' ' 173' ' ' PHE . 1.2 t-105 -50.86 -32.85 21.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -75.92 -39.44 56.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.137 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 1.7 m -87.21 -16.1 36.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.173 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -107.48 17.08 23.17 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -178.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.406 ' CG1' ' ND1' ' A' ' 168' ' ' HIS . 45.1 t -143.4 112.73 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.529 -0.469 . . . . 0.0 111.105 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 167' ' ' ASP . 24.4 p-10 -72.36 52.66 0.27 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.95 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.52 ' CE1' ' O ' ' A' ' 171' ' ' CYS . 2.8 p-80 -93.99 -25.87 17.05 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.358 -0.537 . . . . 0.0 111.112 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 168' ' ' HIS . 59.5 mm-40 37.41 74.24 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.086 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 138.87 -17.48 3.22 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.97 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . 0.52 ' O ' ' CE1' ' A' ' 168' ' ' HIS . 5.2 t -113.35 88.47 12.95 Favored Pre-proline 0 CA--C 1.534 0.339 0 CA-C-N 116.854 0.327 . . . . 0.0 110.943 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -79.14 166.66 22.6 Favored 'Trans proline' 0 C--N 1.314 -1.245 0 C-N-CA 122.001 1.801 . . . . 0.0 112.043 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . 0.478 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 29.4 t80 -51.63 134.11 30.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -118.7 84.9 26.08 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.474 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_exo -48.18 131.27 21.89 Favored 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 122.265 1.977 . . . . 0.0 112.206 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 12.6 p90 -104.06 163.8 12.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.475 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -65.51 102.1 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.548 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 141.93 -29.71 2.19 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 1.4 tp -53.52 -28.15 29.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.747 0.308 . . . . 0.0 110.541 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . 0.459 ' CG ' ' H ' ' A' ' 181' ' ' GLU . 7.3 p-10 -74.9 -62.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.67 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . 0.459 ' H ' ' CG ' ' A' ' 180' ' ' ASP . 32.6 mt-10 -52.73 -51.38 60.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.614 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -51.21 -57.47 8.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.584 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 60.7 p -54.86 -31.97 60.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.634 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -63.57 -38.15 90.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.603 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -67.83 -53.5 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.636 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 37.0 mt -59.38 -54.29 48.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.633 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 87.8 p -51.05 -36.56 40.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.553 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -66.8 -39.54 93.54 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -57.66 -47.68 81.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.33 . . . . 0.0 110.576 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.83 -43.44 98.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.57 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -70.74 -16.32 62.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.595 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -81.43 -38.26 26.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.597 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 3.4 tt -90.75 -26.64 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.656 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 2.6 tp -90.73 17.26 7.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.603 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -42.96 -51.91 5.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.535 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -51.51 141.44 15.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.623 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . 0.462 ' C ' ' H ' ' A' ' 199' ' ' ASN . 4.0 tp60 65.26 -147.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.548 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 76.52 -19.44 3.13 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 199' ' ' ASN . . . . . 0.462 ' H ' ' C ' ' A' ' 197' ' ' GLN . 63.9 t30 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.556 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mtm . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 64.81 131.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.512 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.72 -66.82 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.499 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.3 p -173.13 67.32 0.36 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.557 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -48.15 -63.11 0.34 Allowed 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.719 2.279 . . . . 0.0 112.139 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 50.57 95.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.563 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.7 p -68.32 -100.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.532 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -141.37 174.04 23.09 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -74.4 125.28 9.53 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.887 2.391 . . . . 0.0 112.108 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 11' ' ' HIS . 9.6 tpt180 -137.73 69.39 1.4 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.486 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.433 ' O ' ' O ' ' A' ' 10' ' ' ARG . 5.8 t60 40.36 95.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.77 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.582 ' CD2' ' N ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -104.79 174.07 6.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.284 179.686 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.5 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -69.41 169.13 12.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.617 179.381 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -73.32 123.19 89.23 Favored Pre-proline 0 CA--C 1.539 0.537 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.877 -179.289 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.438 ' O ' ' OG1' ' A' ' 19' ' ' THR . 80.9 Cg_exo -42.04 -17.64 0.07 OUTLIER 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 121.925 1.75 . . . . 0.0 112.138 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 14' ' ' ASP . 9.1 t60 -77.55 -57.8 3.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.648 -179.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.6 pp -57.0 -21.26 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 120.741 -0.383 . . . . 0.0 110.38 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -77.14 -60.98 2.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.451 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -55.63 -24.12 31.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.607 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 m -85.39 -46.91 10.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.731 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.465 ' OD1' ' CE1' ' A' ' 32' ' ' TYR . 10.6 m120 -65.0 -9.94 25.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.744 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -130.37 27.07 5.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.574 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.06 4.01 6.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.548 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 61.54 150.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.546 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 53.04 97.94 0.01 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -148.04 169.85 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.874 0.368 . . . . 0.0 110.652 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.59 16.09 0.96 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.404 ' O ' ' CH2' ' A' ' 98' ' ' TRP . 0.3 OUTLIER -99.53 154.84 17.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.821 0.343 . . . . 0.0 110.742 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -87.94 99.47 12.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.696 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.4 tttt -173.0 34.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.393 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.7 p -46.71 160.68 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.004 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.465 ' CE1' ' OD1' ' A' ' 21' ' ' ASN . 1.0 OUTLIER -134.59 145.04 48.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.285 179.662 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.437 ' C ' ' CD2' ' A' ' 33' ' ' LEU . 6.6 tt -139.19 123.1 17.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.693 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.88 116.51 30.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.398 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.508 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 4.4 p90 -109.68 143.36 39.56 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.733 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -132.91 160.08 38.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.297 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.3 t -129.7 130.77 66.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.571 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -136.92 128.31 28.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.601 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -81.37 125.76 30.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.429 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.63 119.47 26.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.607 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.82 114.67 6.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.597 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.65 ' N ' HD21 ' A' ' 42' ' ' ASN . 0.7 OUTLIER 54.82 39.38 31.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.604 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.52 -20.26 2.24 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.489 ' H ' ' C ' ' A' ' 42' ' ' ASN . 19.1 m -77.12 111.18 12.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.552 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.8 p -90.35 110.44 21.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.563 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.437 ' CG2' ' O ' ' A' ' 46' ' ' VAL . 25.7 m -99.99 108.82 23.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.572 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.65 127.38 32.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.569 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 50.9 mtm -91.21 147.58 22.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.509 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -87.01 -50.25 6.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.643 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -81.6 56.66 3.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.417 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -169.37 22.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.643 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.518 ' NH1' ' O ' ' A' ' 164' ' ' THR . 0.4 OUTLIER -133.66 170.53 15.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.463 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 176.81 -171.02 43.94 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -144.28 138.35 27.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.694 0.283 . . . . 0.0 110.674 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -119.45 134.47 55.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.346 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -103.32 157.98 16.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.577 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -50.18 153.46 1.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.557 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -93.3 143.91 25.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.645 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -175.88 57.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.551 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -75.51 -26.15 57.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.644 -179.91 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 40.81 28.54 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.776 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 60' ' ' LYS . 1.7 tp -86.97 -58.69 2.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.986 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.94 -51.4 5.5 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.443 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.51 ' C ' ' H ' ' A' ' 66' ' ' PHE . 4.0 m -83.12 0.34 45.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.267 -179.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 60.03 1.23 1.39 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.51 ' H ' ' C ' ' A' ' 64' ' ' CYS . 21.5 t80 -170.84 60.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 110.613 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -48.65 111.89 0.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.517 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -107.52 80.63 0.28 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.438 ' NH2' ' OD2' ' A' ' 77' ' ' ASP . 0.5 OUTLIER -137.44 113.34 9.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.866 0.365 . . . . 0.0 110.592 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.588 ' CD2' ' H ' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -64.72 156.1 31.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.548 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.69 -39.9 95.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.596 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.42 ' OE1' ' SG ' ' A' ' 106' ' ' CYS . 30.5 mt-10 -45.17 -61.5 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.525 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.6 mp -52.12 -52.56 50.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.623 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.17 -58.03 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.441 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.508 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 40.7 t80 -57.6 -49.39 76.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.469 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.4 mt -57.08 -19.96 22.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.565 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.438 ' OD2' ' NH2' ' A' ' 69' ' ' ARG . 1.6 t0 -71.86 -44.39 63.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.241 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 pp -95.92 5.34 51.46 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.074 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.422 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.4 t -56.59 -48.09 97.79 Favored Pre-proline 0 CA--C 1.536 0.41 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.084 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.422 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 44.1 Cg_endo -74.13 -17.05 22.24 Favored 'Trans proline' 0 N--CA 1.488 1.198 0 C-N-CA 121.528 1.485 . . . . 0.0 111.856 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.9 t -69.14 -9.93 55.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.357 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.5 mt -79.63 12.1 2.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.54 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 41.63 43.34 2.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.563 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.6 mt -43.15 155.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.664 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.503 ' C ' ' H ' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -116.89 85.08 16.89 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.462 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -49.79 -7.16 0.08 OUTLIER 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 122.375 2.05 . . . . 0.0 112.264 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.503 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -47.44 -56.38 7.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.47 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.496 ' NE2' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -112.99 -179.3 3.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.387 179.823 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.477 ' H ' ' CD1' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -85.39 162.44 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.534 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -143.76 176.38 9.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.562 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -146.58 108.5 4.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.736 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.1 t -94.92 112.13 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.285 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.1 m -97.05 120.34 37.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.63 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -101.39 132.19 47.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.933 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.495 ' CD2' ' SG ' ' A' ' 161' ' ' CYS . 12.5 m-85 -124.04 102.86 7.97 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.43 145.75 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.076 -178.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.461 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 0.9 OUTLIER -97.0 -23.22 16.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.764 178.801 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.404 ' CH2' ' O ' ' A' ' 28' ' ' ARG . 21.6 m95 -114.77 135.78 53.8 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.528 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.66 162.73 4.54 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.599 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -70.7 171.12 16.12 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.602 2.201 . . . . 0.0 112.109 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 31.1 p -111.14 -137.2 0.37 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.367 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.539 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -49.49 102.49 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.495 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.525 ' O ' ' N ' ' A' ' 108' ' ' GLY . 79.3 p -41.08 -25.11 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.63 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.454 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -85.46 -28.29 25.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.919 0.39 . . . . 0.0 111.347 -179.503 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -81.33 -62.0 2.02 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . 0.42 ' SG ' ' OE1' ' A' ' 72' ' ' GLU . 0.7 OUTLIER -77.56 -69.24 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.621 0.248 . . . . 0.0 111.369 -179.568 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.43 -40.2 81.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.98 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -58.78 -57.05 21.93 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -53.96 -32.8 55.04 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.013 0.435 . . . . 0.0 110.099 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 58.2 t -73.78 -40.24 53.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.348 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 55.9 ttt180 -56.1 -58.98 5.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.324 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.56 -59.75 4.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.426 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -46.67 -28.66 1.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.618 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.7 tp -84.24 -43.3 15.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.728 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -49.62 -28.69 6.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.489 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -109.68 5.33 22.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.998 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.538 ' C ' ' H ' ' A' ' 119' ' ' HIS . 7.6 t30 -144.02 34.24 1.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.348 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.4 t -62.27 3.01 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.538 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.2 OUTLIER -76.16 9.98 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.376 . . . . 0.0 110.363 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.9 p -136.98 149.66 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.387 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.45 123.05 34.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.467 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.66 112.41 25.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.614 -179.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -116.32 120.05 37.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.857 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 19.6 mt -105.1 130.81 55.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.101 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -125.66 115.54 20.28 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.642 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -95.02 111.79 23.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.226 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -83.1 -44.71 14.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -133.2 138.41 46.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.933 0.397 . . . . 0.0 110.603 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -98.79 126.04 52.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.737 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -174.42 120.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.308 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -175.35 172.74 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.503 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -103.31 9.9 37.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.378 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.512 ' C ' ' H ' ' A' ' 135' ' ' LEU . 1.7 m-20 -128.4 76.71 78.03 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.516 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.511 ' C ' ' H ' ' A' ' 136' ' ' TYR . 50.7 Cg_exo -49.75 -6.84 0.08 OUTLIER 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.72 2.28 . . . . 0.0 112.295 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.512 ' H ' ' C ' ' A' ' 133' ' ' ASP . 4.9 mt -55.73 -6.05 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.501 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.511 ' H ' ' C ' ' A' ' 134' ' ' PRO . 0.6 OUTLIER -42.4 -37.14 1.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.651 -179.89 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.479 ' N ' ' CG ' ' A' ' 136' ' ' TYR . 1.2 pttm -59.87 -60.36 3.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.464 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -51.88 -26.68 10.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.41 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -75.39 -28.87 59.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.512 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.6 -41.44 72.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.514 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -82.28 -36.14 27.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.554 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 3.4 ttp -68.47 -49.66 58.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.689 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 23.1 tp -66.1 -50.93 62.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.677 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.506 ' C ' ' H ' ' A' ' 146' ' ' ALA . 4.8 tmm_? -49.08 -41.04 34.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.512 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -61.7 -0.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.594 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 144' ' ' ARG . . . -102.16 -23.85 14.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.658 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 131.33 -47.61 1.01 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -44.31 147.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.839 0.352 . . . . 0.0 110.645 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -102.0 143.4 31.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.501 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.49 122.06 49.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.494 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 5.3 t -150.91 162.09 41.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.666 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.3 tp -78.38 140.28 17.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.583 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.583 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 10.9 ttt -56.37 130.7 45.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.637 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' THR . . . . . 0.422 ' H ' ' HG1' ' A' ' 154' ' ' THR . 0.3 OUTLIER -100.08 153.77 18.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.629 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -52.29 -39.59 60.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.58 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.47 -44.38 93.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.543 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -65.95 -38.86 89.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.484 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.583 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 1.3 m-85 -51.43 -49.61 61.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.535 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.85 -52.98 62.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.606 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.624 ' ND1' ' N ' ' A' ' 161' ' ' CYS . 0.1 OUTLIER -48.1 -51.53 24.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.336 179.836 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.624 ' N ' ' ND1' ' A' ' 160' ' ' HIS . 0.5 OUTLIER -64.11 -49.22 73.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.945 -179.495 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' TRP . . . . . 0.459 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 21.9 t-105 -43.35 -68.97 0.15 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.327 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . 0.459 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.1 OUTLIER -60.16 -26.51 66.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.762 -179.008 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.518 ' O ' ' NH1' ' A' ' 52' ' ' ARG . 30.7 m -86.87 -18.45 30.87 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.818 -179.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.547 ' N ' ' O ' ' A' ' 161' ' ' CYS . 25.9 m-85 -121.52 19.19 11.26 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.623 -179.29 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.563 ' C ' ' H ' ' A' ' 168' ' ' HIS . 60.9 t -144.69 153.97 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.517 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . 0.416 ' O ' ' CG ' ' A' ' 167' ' ' ASP . 0.4 OUTLIER -75.98 27.75 0.11 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.958 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.709 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -41.01 -54.56 2.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.909 179.539 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . 0.621 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 31.6 mt-30 41.16 17.06 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.386 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . 0.709 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 141.35 3.69 1.16 Allowed Glycine 0 CA--C 1.53 0.975 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.909 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . 0.615 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 23.7 m -117.24 85.27 18.89 Favored Pre-proline 0 CA--C 1.53 0.177 0 CA-C-N 116.865 0.333 . . . . 0.0 110.121 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -82.5 149.53 14.71 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 122.391 2.061 . . . . 0.0 112.369 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . 0.513 ' O ' ' CD2' ' A' ' 173' ' ' PHE . 0.0 OUTLIER -105.76 123.03 47.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.313 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.494 ' H ' ' CD ' ' A' ' 174' ' ' GLN . 0.0 OUTLIER -91.83 153.97 43.69 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.443 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -70.32 134.26 26.38 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.263 1.976 . . . . 0.0 111.96 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 9.7 p90 -80.55 -172.19 3.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.605 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.82 95.4 10.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.53 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 160.48 -33.6 0.41 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.76 -46.12 50.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.801 0.334 . . . . 0.0 110.377 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.3 -48.51 71.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.502 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -65.72 -57.82 7.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.476 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -49.95 -37.57 32.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.476 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.11 -55.43 35.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.491 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -58.02 -30.26 65.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.578 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -68.37 -65.04 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.555 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 42.9 mt -62.51 -60.34 3.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.492 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 15.6 p -45.98 -37.43 6.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.482 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -66.73 -39.83 93.72 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 31.8 mtt85 -69.19 -55.87 9.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.782 0.325 . . . . 0.0 110.491 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -43.34 -50.34 6.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.3 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -59.3 -40.6 86.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.352 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -51.79 -52.69 47.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.51 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.66 -33.9 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.349 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.56 -35.75 65.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.455 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.71 91.9 4.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.522 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 196' ' ' ASN . . . . . 0.502 ' OD1' ' N ' ' A' ' 196' ' ' ASN . 0.6 OUTLIER -67.5 -162.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.571 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -57.11 117.81 4.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.558 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -175.22 36.64 0.1 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 199' ' ' ASN . . . . . 0.436 ' C ' HD21 ' A' ' 199' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.579 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 mtt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -143.33 -42.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.615 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.73 141.03 48.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.556 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.52 162.65 54.79 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.438 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -70.27 -63.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.585 2.19 . . . . 0.0 112.035 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.15 -76.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.581 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.89 21.29 2.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.46 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.77 -67.25 1.14 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -70.81 -11.72 29.87 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.799 2.333 . . . . 0.0 112.073 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 55.89 -157.34 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.652 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.488 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 4.2 p80 -151.55 54.7 0.85 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.607 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.551 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 6.8 mp -94.9 174.37 7.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.968 0.413 . . . . 0.0 110.492 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.489 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -61.86 150.26 37.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.967 179.678 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -67.11 141.39 96.36 Favored Pre-proline 0 CA--C 1.536 0.418 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.408 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.442 ' O ' ' OG1' ' A' ' 19' ' ' THR . 86.1 Cg_exo -40.01 -48.71 3.78 Favored 'Trans proline' 0 N--CA 1.488 1.166 0 C-N-CA 122.119 1.879 . . . . 0.0 112.248 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.431 ' CD2' ' C ' ' A' ' 16' ' ' HIS . 11.7 t60 -65.83 -45.89 80.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.622 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.7 mm -48.7 -38.7 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.977 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 28.2 t80 -76.33 -57.2 4.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.786 0.327 . . . . 0.0 110.913 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -54.91 -24.56 24.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.831 -179.639 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.6 t -86.9 -35.91 18.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.676 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.614 ' ND2' ' CE1' ' A' ' 32' ' ' TYR . 14.4 t-20 -81.19 -1.36 44.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.735 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -133.31 3.17 3.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.339 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.403 ' ND2' ' C ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -65.52 122.52 17.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.441 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -39.39 121.12 1.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.727 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.52 77.66 1.27 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -70.11 -176.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.744 0.307 . . . . 0.0 110.584 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -121.92 -77.71 0.44 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.653 HH12 ' CE1' ' A' ' 29' ' ' HIS . 0.9 OUTLIER -171.56 147.01 2.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.465 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.653 ' CE1' HH12 ' A' ' 28' ' ' ARG . 18.1 m-70 44.31 64.39 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -135.43 13.64 3.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.816 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.9 p -47.27 109.5 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.426 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.614 ' CE1' ' ND2' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -106.14 140.79 38.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.652 -179.857 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.46 ' CD1' ' C ' ' A' ' 33' ' ' LEU . 2.6 tm? -132.94 123.34 25.76 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.016 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.98 102.97 8.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.649 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.493 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 15.4 p90 -93.55 142.36 27.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.151 -179.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -126.49 160.59 30.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.111 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 44.8 t -131.44 123.78 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 110.639 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -135.68 120.54 18.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.619 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.8 ttp85 -95.53 137.53 34.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.39 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.9 mt -92.61 157.32 16.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.557 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -151.62 96.3 2.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.449 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.464 ' C ' ' H ' ' A' ' 44' ' ' THR . 40.7 t-20 59.43 53.87 4.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.472 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.62 -27.1 1.9 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.464 ' H ' ' C ' ' A' ' 42' ' ' ASN . 1.5 m -71.85 144.05 49.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.763 0.316 . . . . 0.0 110.508 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.7 p -104.26 137.0 42.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.569 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 37.1 t -131.1 105.42 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.499 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -82.54 136.78 34.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.663 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.2 mmt -89.31 145.81 25.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.523 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -96.82 -50.15 4.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.687 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.415 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -100.78 63.07 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.549 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 45.0 t-80 -161.0 13.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.663 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -109.58 170.63 7.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.596 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -173.09 173.69 45.71 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -152.15 146.72 25.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.85 0.357 . . . . 0.0 110.746 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mp -137.4 178.47 7.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.559 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.22 175.66 9.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.474 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.462 ' H ' ' ND2' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -41.73 150.55 0.11 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.541 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -96.32 -60.89 1.52 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.565 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 54.58 101.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.555 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -93.09 -55.12 3.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.597 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -38.26 103.17 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.403 ' CD2' ' H ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -79.1 2.2 21.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.541 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.509 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 8.6 mp -88.73 -52.12 5.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 5.1 t -114.27 -32.3 6.01 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.126 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.5 49.79 3.34 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.689 -0.965 . . . . 0.0 110.689 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -130.87 -80.13 0.53 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.718 0.294 . . . . 0.0 110.712 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -41.15 123.47 2.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.627 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.89 -140.69 5.62 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.527 ' CG ' HH11 ' A' ' 69' ' ' ARG . 1.1 mtt85 -138.54 138.51 38.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.897 0.379 . . . . 0.0 110.596 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.667 ' CD2' ' H ' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -59.1 164.56 2.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.658 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.59 -36.86 85.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.503 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -63.89 -50.9 66.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.508 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.6 mp -44.92 -47.54 11.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.383 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -58.26 -47.17 84.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.498 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.493 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 25.5 t80 -59.03 -47.77 84.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.407 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 tp -65.22 -19.59 66.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.191 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -79.07 -33.36 44.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.266 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 pp -103.81 8.11 37.08 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.779 0.323 . . . . 0.0 110.734 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.581 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -63.17 -41.66 70.89 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.61 179.792 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 28.3 Cg_exo -59.16 -22.07 62.64 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.263 1.975 . . . . 0.0 111.873 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.5 m -56.89 -8.84 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.526 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.452 ' H ' ' C ' ' A' ' 80' ' ' PRO . 49.2 mt -90.8 -35.25 14.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.59 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 71.26 39.58 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.643 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.9 mt -54.97 111.6 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.532 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.2 160.57 54.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.623 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.28 3.88 2.76 Favored 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.576 2.184 . . . . 0.0 112.112 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.0 -84.99 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.828 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.604 ' NE2' ' H ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -109.11 -175.09 2.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.584 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' A' ' 90' ' ' TYR . 3.2 mm -85.07 156.14 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.536 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.403 ' N ' ' CG2' ' A' ' 89' ' ' ILE . 2.4 m-85 -131.33 167.36 19.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.489 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.418 ' NH1' ' NH1' ' A' ' 123' ' ' ARG . 19.7 ttp180 -153.85 104.44 2.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.777 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.8 t -91.09 131.27 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.451 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.6 m -107.73 120.47 42.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.301 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -100.38 131.47 46.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.967 0.413 . . . . 0.0 110.741 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.57 ' CD2' ' SG ' ' A' ' 161' ' ' CYS . 22.4 m-85 -120.29 102.87 8.78 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -111.1 142.44 23.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.003 0.43 . . . . 0.0 111.664 -178.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 2.5 p -96.72 -27.9 14.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.057 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 14.8 m95 -112.16 136.44 51.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.578 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.602 ' HG ' ' N ' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -46.49 162.41 0.26 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.626 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.602 ' N ' ' HG ' ' A' ' 99' ' ' SER . 39.9 Cg_endo -69.74 172.95 11.7 Favored 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.544 2.163 . . . . 0.0 112.073 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -117.43 -151.26 0.48 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.288 -179.84 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.536 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -37.75 98.55 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.326 0.584 . . . . 0.0 110.066 179.685 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 101' ' ' CYS . 74.4 m -39.06 -24.02 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.822 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.522 ' N ' ' O ' ' A' ' 102' ' ' PHE . 1.6 t90 -84.41 -31.75 24.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.55 -179.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -72.22 -62.31 3.35 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -69.21 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.648 0.261 . . . . 0.0 111.198 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -50.55 -50.16 54.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.913 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.35 -58.84 11.96 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 105' ' ' GLY . 14.3 mm-40 -46.59 -45.35 18.86 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.279 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.0 t -65.18 -45.11 94.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.391 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -47.04 -58.54 3.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.209 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.54 -45.6 63.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.242 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -51.56 -49.19 62.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.491 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 117' ' ' ASN . 7.0 mp -69.21 -58.42 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.505 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -46.8 -15.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.416 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.478 ' H ' ' C ' ' A' ' 114' ' ' LEU . 4.3 tt0 -109.97 -18.91 13.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.657 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.627 ' ND2' ' CD2' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -152.54 57.74 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.387 . . . . 0.0 110.694 -179.842 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 66.5 p -62.14 5.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.627 ' CD2' ' ND2' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -75.85 1.36 15.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 0.0 110.337 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.6 p -128.47 130.52 69.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.482 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 28.1 mtt-85 -91.47 144.55 25.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.294 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.76 128.55 49.73 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.002 -179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.418 ' NH1' ' NH1' ' A' ' 91' ' ' ARG . 2.4 mtp180 -112.27 124.08 51.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.825 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 23.6 mm -104.92 127.12 59.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.748 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.509 ' CE1' ' OE2' ' A' ' 157' ' ' GLU . 63.4 m-85 -126.09 111.18 14.37 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.04 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -94.54 114.77 26.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.988 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -85.75 -44.66 12.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.071 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.612 HH21 ' CG ' ' A' ' 186' ' ' LEU . 0.0 OUTLIER -133.82 140.31 46.81 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.878 0.37 . . . . 0.0 110.784 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -99.85 129.24 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.581 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.417 ' O ' ' OD1' ' A' ' 131' ' ' ASP . 0.2 OUTLIER -178.82 122.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.367 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 130' ' ' TYR . 0.1 OUTLIER 179.68 151.71 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.681 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -86.59 10.09 16.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.453 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.534 ' C ' ' H ' ' A' ' 135' ' ' LEU . 11.9 m-20 -122.33 80.61 45.39 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.571 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.505 ' C ' ' H ' ' A' ' 136' ' ' TYR . 50.2 Cg_exo -50.04 -5.83 0.07 OUTLIER 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 122.565 2.177 . . . . 0.0 112.309 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.534 ' H ' ' C ' ' A' ' 133' ' ' ASP . 5.5 mt -52.66 -8.98 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.456 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.505 ' H ' ' C ' ' A' ' 134' ' ' PRO . 0.9 OUTLIER -42.87 -26.55 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.662 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -68.08 -59.21 3.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.585 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.99 -30.38 14.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.554 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -69.13 -42.58 75.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.591 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.32 -43.71 83.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.54 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -77.24 -59.23 2.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.552 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -45.08 -39.89 6.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.437 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 44.2 tp -68.96 -45.96 69.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -54.45 -28.49 44.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.519 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -82.22 -13.6 56.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.516 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -87.73 -23.1 24.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.585 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 91.71 68.47 1.15 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -143.49 172.79 12.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.879 0.371 . . . . 0.0 110.573 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -100.53 130.67 46.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.584 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.05 107.68 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.501 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.09 162.0 41.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.719 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 10.3 mm -85.02 136.45 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.568 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.586 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 4.9 ttt -45.04 121.26 2.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.51 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 82.4 p -99.04 157.38 16.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.636 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -47.97 -39.41 19.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.731 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.39 -60.94 2.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.588 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . 0.509 ' OE2' ' CE1' ' A' ' 125' ' ' PHE . 73.8 mt-10 -53.79 -32.32 52.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.489 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.586 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 0.4 OUTLIER -59.41 -46.9 87.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.421 179.864 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -59.88 -56.22 24.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.661 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.517 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -56.23 -54.21 48.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.54 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.57 ' SG ' ' CD2' ' A' ' 95' ' ' PHE . 11.5 t -57.12 -38.53 73.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.705 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' TRP . . . . . 0.578 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 4.0 t-105 -61.88 -64.7 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . 0.578 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -62.46 -17.5 59.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.337 -179.45 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 87.7 m -86.56 -36.49 18.88 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.23 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.489 ' O ' ' SD ' ' A' ' 13' ' ' MET . 28.6 m-85 -100.72 18.7 18.69 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.354 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.525 ' C ' ' H ' ' A' ' 168' ' ' HIS . 60.2 t -146.15 134.87 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.643 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . 0.543 ' C ' ' H ' ' A' ' 169' ' ' GLN . 30.2 t70 -75.16 39.31 0.14 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.605 178.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.564 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -46.87 -12.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.586 -179.776 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . 0.543 ' H ' ' C ' ' A' ' 167' ' ' ASP . 9.2 mm-40 53.83 6.19 0.08 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.987 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . 0.564 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 122.47 36.1 0.71 Allowed Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . 0.556 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 1.2 m -124.78 80.76 62.14 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-O 120.701 0.286 . . . . 0.0 110.292 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -51.91 155.05 8.92 Favored 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.595 2.197 . . . . 0.0 112.219 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . 0.521 ' CE1' ' O ' ' A' ' 174' ' ' GLN . 0.0 OUTLIER -98.59 114.5 26.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.412 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.521 ' O ' ' CE1' ' A' ' 173' ' ' PHE . 0.0 OUTLIER -79.53 156.68 75.56 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.553 -179.732 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.66 156.21 57.77 Favored 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 122.393 2.062 . . . . 0.0 112.154 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 3.0 p90 -103.53 -168.29 1.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.383 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -89.22 86.63 6.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.436 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 144.67 -25.39 1.97 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 5.2 tt -41.07 -38.77 1.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.727 0.299 . . . . 0.0 110.604 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -47.89 59.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.611 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -60.16 -50.13 74.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.642 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -63.32 -46.86 84.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.56 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 71.0 m -58.55 -50.34 74.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.596 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.26 -32.04 72.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.705 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -73.88 -65.16 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.63 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . 0.612 ' CG ' HH21 ' A' ' 128' ' ' ARG . 9.3 mp -50.52 -54.68 20.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.505 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 13.3 m -54.41 -42.4 70.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.603 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -66.02 -32.77 83.52 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -58.89 -61.68 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.724 0.297 . . . . 0.0 110.596 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.1 tp -51.24 -44.76 61.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.424 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . 0.481 HH21 HD22 ' A' ' 196' ' ' ASN . 25.3 ttt180 -52.42 -35.62 52.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.41 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -66.08 -55.14 18.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.576 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . 0.443 ' C ' ' H ' ' A' ' 195' ' ' GLN . 1.7 mp -48.56 -53.47 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.531 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 195' ' ' GLN . 6.0 mt -59.19 -6.23 0.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.528 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . 0.443 ' H ' ' C ' ' A' ' 193' ' ' ILE . 1.5 mm-40 48.81 99.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.594 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 196' ' ' ASN . . . . . 0.481 HD22 HH21 ' A' ' 191' ' ' ARG . 0.1 OUTLIER -126.05 174.25 8.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.561 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 47.96 83.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.6 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 151.97 -95.21 0.15 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.543 -179.948 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.5 mmm . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -165.67 -40.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.527 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -162.59 -66.66 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.555 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.91 163.22 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.557 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -38.26 120.38 0.43 Allowed 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.632 2.221 . . . . 0.0 112.223 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -165.12 140.55 5.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.597 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 t 171.91 97.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.568 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -154.21 61.41 0.38 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -74.53 139.0 25.05 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.782 2.321 . . . . 0.0 112.146 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 11' ' ' HIS . 8.6 ttm180 -140.38 99.28 3.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.434 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 10' ' ' ARG . 4.0 t60 41.56 94.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.556 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.567 ' CD2' ' N ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -100.74 174.04 6.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.248 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.6 ptp -76.26 166.86 22.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.241 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.13 142.12 92.54 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.676 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -41.66 -49.09 5.47 Favored 'Trans proline' 0 N--CA 1.491 1.336 0 C-N-CA 122.082 1.855 . . . . 0.0 112.346 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -64.76 -48.06 75.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.057 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.4 mm -48.73 -30.35 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.652 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -80.97 -60.86 2.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.615 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.434 ' H ' ' HG1' ' A' ' 19' ' ' THR . 0.2 OUTLIER -48.6 -24.99 1.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.567 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.403 ' C ' ' H ' ' A' ' 22' ' ' PHE . 59.8 p -79.26 -54.65 5.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.504 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.59 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 6.2 m120 -60.84 -7.63 2.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.548 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.403 ' H ' ' C ' ' A' ' 20' ' ' SER . 53.6 m-85 -133.19 35.16 3.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 23' ' ' ASN . 1.7 t-20 -95.58 104.93 16.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.578 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.653 ' N ' HH21 ' A' ' 128' ' ' ARG . 0.0 OUTLIER -41.21 155.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.556 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.22 18.29 67.27 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.819 -0.913 . . . . 0.0 110.819 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 19.5 tt -60.79 158.39 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.619 0.247 . . . . 0.0 110.46 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.88 -10.36 0.1 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -108.1 143.69 36.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.779 0.323 . . . . 0.0 110.438 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.596 ' N ' ' ND1' ' A' ' 29' ' ' HIS . 0.1 OUTLIER -61.91 76.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.819 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.542 ' NZ ' HD22 ' A' ' 21' ' ' ASN . 0.0 OUTLIER -117.03 25.11 10.73 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.961 179.727 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -46.92 142.04 3.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.395 -179.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.59 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -119.74 143.69 47.66 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.093 179.71 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -133.37 114.0 13.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.107 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.89 136.83 47.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.673 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.404 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 40.4 p90 -128.91 136.65 50.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.024 0.44 . . . . 0.0 111.395 -178.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -139.96 129.06 23.66 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.15 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.8 t -105.36 137.85 33.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.875 0.369 . . . . 0.0 110.73 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.484 ' OE2' ' NE ' ' A' ' 91' ' ' ARG . 7.6 pt-20 -139.67 134.52 32.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.405 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.3 ttp85 -79.47 138.18 37.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.547 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.6 mt -103.49 101.49 11.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.667 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -100.5 99.33 9.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.455 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.407 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 0.4 OUTLIER 54.83 32.28 17.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.615 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.51 -25.96 26.23 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.8 m -72.78 110.89 7.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.54 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 63.2 p -84.25 128.4 34.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.512 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.7 t -122.92 99.36 6.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.454 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -63.82 132.46 50.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.62 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 45.3 mtt -74.75 155.88 37.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.533 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.92 -50.2 7.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.597 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -103.29 73.09 1.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.517 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.52 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 38.0 t-80 -163.93 9.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.666 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.519 ' C ' ' HE ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -100.92 133.64 45.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.397 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -154.53 -179.34 29.71 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -166.04 139.21 4.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.922 0.392 . . . . 0.0 111.154 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mp -138.33 178.47 7.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.382 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.08 167.87 13.64 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.347 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -56.45 172.31 0.24 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.849 0.357 . . . . 0.0 110.656 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.715 HE22 ' HE ' ' A' ' 69' ' ' ARG . 26.2 mt-30 -95.39 87.55 4.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.496 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.29 -71.51 0.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.633 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -89.43 89.15 7.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.565 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.508 ' C ' ' H ' ' A' ' 63' ' ' LEU . 12.7 p-10 -143.04 72.24 1.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.459 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 mt -70.47 10.41 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.593 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.508 ' H ' ' C ' ' A' ' 61' ' ' ASN . 10.3 mt -58.54 -49.65 76.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.567 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 10.4 m -102.98 9.89 38.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.589 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.56 30.02 5.73 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.514 ' O ' ' CG ' ' A' ' 66' ' ' PHE . 14.6 t80 54.79 80.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.739 0.304 . . . . 0.0 110.612 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.528 ' O ' ' N ' ' A' ' 69' ' ' ARG . 14.7 m-85 -117.38 118.02 31.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.408 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.76 84.95 0.01 OUTLIER Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.715 ' HE ' HE22 ' A' ' 58' ' ' GLN . 27.8 mtp85 -102.93 130.11 49.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.794 0.33 . . . . 0.0 110.585 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.426 ' CD2' ' OE2' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -56.34 159.4 3.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.717 -179.825 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.46 -27.44 56.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.536 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.494 ' OE1' ' SG ' ' A' ' 106' ' ' CYS . 21.5 mt-10 -54.34 -38.32 65.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.569 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.6 mp -60.72 -47.1 87.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.633 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -60.49 -37.57 81.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.595 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 2.8 t80 -62.07 -49.22 76.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.569 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.1 tp -65.94 -20.15 66.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.627 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -76.73 -29.48 56.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.413 ' C ' ' CD1' ' A' ' 78' ' ' LEU . 4.0 pp -104.44 7.13 35.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.834 0.35 . . . . 0.0 110.833 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.588 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -64.25 -41.11 58.38 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.985 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 22.7 Cg_exo -61.0 -17.24 50.55 Favored 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 122.27 1.98 . . . . 0.0 112.065 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.7 m -71.04 -9.02 57.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.2 mt -98.3 -10.77 23.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.705 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 42.76 52.37 5.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.546 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 mt -40.43 156.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.71 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.521 ' C ' ' H ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -116.22 85.41 15.55 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.413 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -50.12 -5.66 0.07 OUTLIER 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.357 2.038 . . . . 0.0 112.45 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.521 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -40.95 -31.99 0.21 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.91 0.386 . . . . 0.0 110.518 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -138.29 -173.88 3.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.279 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.474 ' C ' ' CD1' ' A' ' 90' ' ' TYR . 0.5 OUTLIER -90.75 156.61 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.028 0.442 . . . . 0.0 110.641 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 89' ' ' ILE . 65.1 m-85 -144.15 179.05 7.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.845 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.503 ' CZ ' ' HE ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -148.63 116.04 6.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.443 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.3 t -93.85 122.52 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.322 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.5 m -104.11 118.73 37.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.605 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -102.97 131.13 50.15 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.648 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.416 ' CD2' ' SG ' ' A' ' 161' ' ' CYS . 36.3 m-85 -123.22 103.21 8.39 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -111.93 145.6 17.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.475 -178.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.494 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 2.1 p -91.88 -24.51 19.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.001 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 13.9 m95 -110.54 171.12 7.65 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.102 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -98.08 161.08 26.7 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.799 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' A' ' 99' ' ' SER . 53.1 Cg_exo -42.55 173.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 122.648 2.232 . . . . 0.0 112.515 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.9 p -125.08 -47.81 1.76 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.143 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.3 OUTLIER -143.31 117.31 9.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.578 179.597 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.447 ' H ' ' HG ' ' A' ' 103' ' ' SER . 3.8 m -42.85 -36.64 1.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.05 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -84.65 -17.69 37.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.555 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.96 -63.82 1.51 Allowed Glycine 0 CA--C 1.527 0.804 0 C-N-CA 120.514 -0.85 . . . . 0.0 111.697 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . 0.494 ' SG ' ' OE1' ' A' ' 72' ' ' GLU . 1.3 m -79.01 -48.07 15.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.652 0.263 . . . . 0.0 111.572 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.09 -27.74 61.04 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.853 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -69.27 -61.0 4.77 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -36.78 68.79 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.117 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 4.3 t -68.88 -61.41 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.363 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.557 ' C ' HE21 ' A' ' 115' ' ' GLN . 67.3 ttt180 -42.3 -60.74 1.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.128 0.49 . . . . 0.0 110.098 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -42.81 -59.54 1.92 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.428 ' CE1' ' OD1' ' A' ' 117' ' ' ASN . 40.8 t80 -51.55 -23.43 4.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.603 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 111' ' ' ARG . 0.9 OUTLIER -84.48 -55.71 4.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.078 -179.613 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.557 HE21 ' C ' ' A' ' 111' ' ' ARG . 11.7 mm-40 -46.52 -28.91 1.55 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.945 0.402 . . . . 0.0 110.081 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -90.92 -42.04 10.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.237 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 119' ' ' HIS . 17.8 m120 -103.77 37.5 2.03 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.747 0.308 . . . . 0.0 111.185 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.462 ' C ' ' H ' ' A' ' 120' ' ' VAL . 59.9 p -45.66 -15.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.835 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.52 ' ND1' ' O ' ' A' ' 119' ' ' HIS . 5.6 p80 -76.19 16.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.955 0.407 . . . . 0.0 110.544 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.462 ' H ' ' C ' ' A' ' 118' ' ' THR . 60.7 t -137.27 144.88 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.479 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.28 148.66 22.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.177 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.91 113.39 13.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.048 0.451 . . . . 0.0 110.796 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.503 ' HE ' ' CZ ' ' A' ' 91' ' ' ARG . 32.2 mtt-85 -115.23 125.01 52.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.125 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.1 mm -106.0 129.61 58.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -128.18 115.41 18.33 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.659 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -102.85 111.39 23.7 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.429 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -77.73 -43.08 32.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.816 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.653 HH21 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -131.63 160.7 34.62 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.515 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.526 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 0.9 OUTLIER -121.76 141.12 43.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.62 -179.751 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.526 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 0.8 OUTLIER 177.77 120.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.431 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.489 ' C ' ' H ' ' A' ' 133' ' ' ASP . 2.4 m-20 -177.81 123.58 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.432 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.71 9.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.328 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.524 ' C ' ' H ' ' A' ' 135' ' ' LEU . 1.1 m-20 -118.51 82.37 19.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.29 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -46.83 -7.99 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 122.461 2.107 . . . . 0.0 112.633 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.524 ' H ' ' C ' ' A' ' 133' ' ' ASP . 0.7 OUTLIER -51.64 -21.06 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.699 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.452 ' CD1' ' C ' ' A' ' 136' ' ' TYR . 0.5 OUTLIER -42.52 -31.92 0.49 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.643 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -53.51 -62.05 1.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.439 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -54.84 -33.33 61.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.433 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -56.38 -46.84 79.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.437 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -60.56 -50.74 72.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.281 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -58.76 -39.4 80.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.408 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -56.97 -39.77 75.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.249 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 146' ' ' ALA . 0.8 OUTLIER -60.21 -55.54 32.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.211 179.734 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -44.93 -41.71 7.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.566 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.62 -34.36 72.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.666 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -79.33 -23.37 43.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 79.98 71.04 1.29 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -136.28 -172.54 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.679 0.276 . . . . 0.0 110.501 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.66 124.43 48.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.607 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.19 107.72 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.495 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 71.0 p -152.0 162.35 41.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.693 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 19.5 mt -85.92 139.25 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.893 0.378 . . . . 0.0 110.352 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 5.8 tpp -41.42 126.96 2.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.626 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.99 159.31 15.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.506 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -48.09 -41.39 26.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.688 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -62.5 -48.07 81.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.582 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -61.99 -42.5 99.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.596 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -49.81 -56.27 11.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.675 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.15 -58.75 6.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.017 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.614 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -48.74 -57.82 5.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.855 -179.774 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.614 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 1.5 m -54.76 -52.76 61.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' TRP . . . . . 0.595 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 6.4 t-105 -43.83 -68.76 0.17 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . 0.595 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -57.97 -41.24 82.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.437 -179.316 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 77.9 m -68.23 -18.1 64.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.493 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 161' ' ' CYS . 50.0 m-85 -121.56 19.31 11.22 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -179.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.579 ' C ' ' H ' ' A' ' 168' ' ' HIS . 80.6 t -144.76 155.07 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.182 0.515 . . . . 0.0 111.645 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . 0.43 ' N ' ' CG1' ' A' ' 166' ' ' VAL . 2.2 p-10 -74.87 30.14 0.09 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.642 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.724 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.2 OUTLIER -35.26 -53.6 0.63 Allowed 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.252 -179.644 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . 0.626 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 81.0 mm-40 40.95 15.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.518 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . 0.724 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 144.39 -3.17 1.38 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . 0.593 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 3.5 m -108.07 96.08 16.99 Favored Pre-proline 0 CA--C 1.535 0.393 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -73.61 160.64 43.72 Favored 'Trans proline' 0 N--CA 1.49 1.276 0 C-N-CA 121.522 1.481 . . . . 0.0 112.691 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -51.48 143.96 11.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.805 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -108.44 99.88 35.1 Favored Pre-proline 0 CA--C 1.535 0.384 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.634 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -78.71 133.86 11.77 Favored 'Trans proline' 0 N--CA 1.489 1.241 0 C-N-CA 121.859 1.706 . . . . 0.0 111.95 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' TRP . . . . . 0.654 ' HE1' ' CD2' ' A' ' 182' ' ' HIS . 0.9 OUTLIER -73.82 167.16 21.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . 0.502 ' N ' ' OD1' ' A' ' 177' ' ' ASP . 9.6 p30 -84.02 86.13 7.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.739 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 149.97 43.72 0.03 OUTLIER Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.491 -1.044 . . . . 0.0 110.491 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . 0.43 ' O ' ' OG ' ' A' ' 183' ' ' SER . 0.8 OUTLIER -73.92 -49.92 22.5 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.872 -179.678 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -59.48 -21.8 60.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.426 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -75.91 -62.0 1.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' HIS . . . . . 0.654 ' CD2' ' HE1' ' A' ' 176' ' ' TRP . 2.1 p80 -70.61 -28.13 64.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.996 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 179' ' ' LEU . 49.9 m -69.51 -45.43 68.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.499 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -63.56 -38.48 91.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.542 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -56.58 -60.26 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.6 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 35.9 mt -67.76 -55.89 11.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.613 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 23.0 t -50.54 -26.31 5.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.6 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -72.73 -53.69 8.07 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -48.24 -56.09 8.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.807 0.337 . . . . 0.0 110.621 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.5 tp -53.55 -54.1 42.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.611 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -45.27 -36.95 4.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.605 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -64.85 -50.45 66.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.566 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 10.5 mt -49.43 -49.0 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.455 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 47.8 mt -54.35 -35.92 63.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.61 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -76.76 77.11 3.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.611 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 196' ' ' ASN . . . . . 0.443 ' H ' ' ND2' ' A' ' 196' ' ' ASN . 0.6 OUTLIER -68.93 -84.48 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.595 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . 0.434 ' H ' ' CG ' ' A' ' 196' ' ' ASN . 3.2 pt20 -161.83 137.17 7.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.541 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -102.51 -81.14 1.53 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.564 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 tpp . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.55 145.63 55.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.504 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.82 24.21 0.51 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.69 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.6 m 51.4 67.25 4.38 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.621 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -47.62 -55.43 3.97 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.816 2.344 . . . . 0.0 112.134 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.26 77.54 3.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.517 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.1 p -74.81 -39.45 61.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.584 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.25 -172.52 41.05 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -47.95 -45.28 25.34 Favored 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 122.844 2.363 . . . . 0.0 112.105 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.4 mtp180 53.7 174.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.608 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -174.14 112.94 0.18 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.592 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.581 ' CD2' ' N ' ' A' ' 12' ' ' LEU . 1.0 OUTLIER -107.68 173.58 6.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.134 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.9 mtm -74.58 150.75 39.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.87 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 3.9 m-20 -63.63 141.99 97.95 Favored Pre-proline 0 CA--C 1.537 0.461 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.446 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.421 ' O ' ' OG1' ' A' ' 19' ' ' THR . 73.5 Cg_exo -40.73 -52.55 3.16 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 122.147 1.898 . . . . 0.0 112.393 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -64.02 -48.19 77.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.031 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mm -48.78 -39.9 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 0.0 110.447 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -76.07 -60.87 2.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.56 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.2 OUTLIER -48.74 -24.52 1.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.56 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.7 p -77.58 -49.1 15.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.53 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.427 ' ND2' ' CE1' ' A' ' 32' ' ' TYR . 2.3 m-20 -62.44 -30.44 71.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.558 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.452 ' C ' ' H ' ' A' ' 24' ' ' ASN . 99.1 m-85 -112.25 20.48 16.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.502 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -51.55 -12.68 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.497 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.452 ' H ' ' C ' ' A' ' 22' ' ' PHE . 9.7 t-20 63.89 98.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.475 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.25 77.04 1.14 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.82 -178.19 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 0.0 110.575 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.03 41.88 0.59 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.469 ' O ' ' CZ2' ' A' ' 98' ' ' TRP . 1.0 OUTLIER -105.21 149.01 26.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.558 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -92.15 85.36 5.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.391 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -171.1 49.26 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.455 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.5 p -46.35 157.66 0.13 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.288 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.427 ' CE1' ' ND2' ' A' ' 21' ' ' ASN . 3.7 m-85 -121.31 143.69 49.04 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.192 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.4 tp -137.11 111.88 8.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.533 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.2 127.27 53.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.948 179.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 14.0 p90 -121.22 138.21 54.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.943 0.402 . . . . 0.0 111.035 -179.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.425 ' CB ' ' HZ2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -141.01 134.06 29.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.105 179.599 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -95.67 145.12 8.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.925 0.393 . . . . 0.0 110.835 -179.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -139.95 128.9 23.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.414 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.459 HH21 ' HH ' ' A' ' 90' ' ' TYR . 40.7 ttm180 -81.32 135.91 35.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.521 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.6 mt -100.86 146.19 27.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.494 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -155.6 100.5 2.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.593 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.76 31.65 21.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.537 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.05 -24.9 29.83 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.3 m -72.61 108.01 5.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 0.0 110.61 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 60.5 p -98.81 108.79 21.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.577 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 33.5 m -101.33 120.14 50.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.653 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.425 ' HZ2' ' CB ' ' A' ' 36' ' ' GLU . 2.1 tmtp? -77.73 124.73 28.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.536 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 46.0 mtt -61.68 153.56 27.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.622 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.74 -50.23 6.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.492 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -104.94 74.94 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.318 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.465 ' N ' ' HE ' ' A' ' 52' ' ' ARG . 37.7 t-80 -164.59 22.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.682 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.656 ' H ' ' NE ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -101.04 152.36 20.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.512 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.44 151.4 21.29 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -149.42 142.03 24.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.804 0.335 . . . . 0.0 110.635 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.545 ' N ' ' CD1' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -144.72 167.17 23.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.498 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.425 ' O ' ' O ' ' A' ' 57' ' ' ASN . 0.6 OUTLIER -104.08 159.02 16.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.511 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' A' ' 58' ' ' GLN . 45.4 p-10 -59.04 -149.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.612 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 57' ' ' ASN . 2.8 pt20 -42.23 165.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.566 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.95 -60.55 2.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.644 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.444 ' O ' ' OD1' ' A' ' 61' ' ' ASN . 85.5 mttt -145.46 -77.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.594 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.444 ' OD1' ' O ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER 65.66 5.55 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.26 0.552 . . . . 0.0 110.685 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 pp -86.76 -25.03 24.88 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.812 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 mt -88.86 -51.7 5.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.636 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.77 -32.31 6.17 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.489 -179.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.1 44.19 10.04 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -105.31 -42.69 5.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.823 0.344 . . . . 0.0 110.551 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.57 123.94 27.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.563 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -151.04 92.6 0.14 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.83 140.66 40.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.726 0.298 . . . . 0.0 110.52 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.655 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -86.5 133.47 33.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.125 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.49 -47.38 3.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.999 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.447 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 19.0 mp0 -48.33 -43.7 33.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.944 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mp -68.82 -55.08 12.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.606 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -44.38 -27.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.565 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.452 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 16.0 t80 -84.7 -44.15 13.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.578 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.0 tp -66.64 -19.99 65.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.635 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.72 -28.59 60.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.18 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.411 ' C ' ' CD1' ' A' ' 78' ' ' LEU . 3.9 pp -106.28 8.06 31.68 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.928 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.579 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -64.82 -41.03 52.99 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.952 179.849 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 36.0 Cg_exo -58.16 -17.35 31.72 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 C-N-CA 122.233 1.956 . . . . 0.0 111.963 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.3 t -55.4 -32.64 62.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.686 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 2.8 mm? -80.69 -41.98 22.78 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.434 ' CB ' ' O ' ' A' ' 82' ' ' LEU . 13.3 tt0 76.6 41.13 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.677 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.4 mt -46.88 154.62 0.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.513 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.02 160.52 66.92 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.409 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -71.4 -15.22 31.23 Favored 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.511 2.141 . . . . 0.0 112.21 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.87 -78.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.493 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -98.59 155.1 17.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.365 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.0 mm -84.91 150.6 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.083 0.468 . . . . 0.0 110.444 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.459 ' HH ' HH21 ' A' ' 39' ' ' ARG . 97.0 m-85 -137.23 179.03 6.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.66 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -148.91 107.06 3.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.476 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 70.7 t -88.99 107.96 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.371 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.3 m -93.12 124.33 37.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.524 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 25.9 m0 -100.6 131.26 46.6 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.022 0.439 . . . . 0.0 110.508 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -118.63 102.84 9.17 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.16 145.96 20.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.166 0.508 . . . . 0.0 111.711 -178.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 0.2 OUTLIER -95.72 -20.05 19.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.743 179.081 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.469 ' CZ2' ' O ' ' A' ' 28' ' ' ARG . 22.8 m95 -117.05 163.98 15.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.219 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -79.64 158.14 73.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.479 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' A' ' 99' ' ' SER . 53.3 Cg_exo -42.38 171.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.369 0 C-N-CA 122.413 2.075 . . . . 0.0 112.235 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.59 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 0.1 OUTLIER -107.17 -45.05 4.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.327 179.686 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.59 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.3 OUTLIER -157.21 114.01 3.01 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 179.228 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.524 ' HG ' ' N ' ' A' ' 104' ' ' TRP . 96.4 p -39.09 -39.86 0.62 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.275 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.524 ' N ' ' HG ' ' A' ' 103' ' ' SER . 0.3 OUTLIER -85.16 -21.85 29.04 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.37 -179.401 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.94 -63.89 1.51 Allowed Glycine 0 CA--C 1.525 0.7 0 C-N-CA 120.291 -0.957 . . . . 0.0 110.842 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 60.3 m -79.37 -69.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.748 0.309 . . . . 0.0 111.114 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.7 -25.78 60.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.618 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -67.38 -61.37 5.14 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.606 -0.997 . . . . 0.0 110.606 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -49.54 -29.6 7.15 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.875 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 3.7 t -71.82 -44.48 67.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.054 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 44.3 ttt85 -54.25 -58.75 6.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.209 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.65 -45.86 58.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.368 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 117' ' ' ASN . 5.6 t80 -53.13 -51.3 62.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.414 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 116' ' ' GLU . 8.9 mt -61.92 -58.57 7.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.448 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -49.68 -16.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.396 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 114' ' ' LEU . 36.8 tt0 -110.06 -22.5 11.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.495 ' C ' ' H ' ' A' ' 119' ' ' HIS . 3.8 m120 -135.19 46.88 2.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.782 0.325 . . . . 0.0 111.021 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.471 ' C ' ' H ' ' A' ' 120' ' ' VAL . 1.0 OUTLIER -49.72 -11.8 0.06 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.719 -179.858 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.51 ' CE1' ' CG2' ' A' ' 120' ' ' VAL . 6.6 p80 -76.94 19.3 0.3 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.887 0.375 . . . . 0.0 110.534 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.51 ' CG2' ' CE1' ' A' ' 119' ' ' HIS . 41.5 t -143.04 136.98 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.506 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -91.64 129.32 37.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.556 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.14 112.7 24.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.505 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -110.92 128.48 55.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.361 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.1 mm -106.53 125.3 62.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -123.94 105.02 9.26 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.761 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -96.07 111.12 23.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.157 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -78.54 -40.38 35.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -135.37 152.64 51.63 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.55 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.424 ' H ' ' CD ' ' A' ' 128' ' ' ARG . 3.5 mt -124.3 97.51 4.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.677 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -150.99 37.1 0.62 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.52 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 132' ' ' TYR . 11.0 t70 -84.01 160.04 21.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.641 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . 0.529 ' N ' ' OD1' ' A' ' 131' ' ' ASP . 0.2 OUTLIER -81.81 10.14 6.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.67 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.52 ' C ' ' H ' ' A' ' 135' ' ' LEU . 5.9 m-20 -126.02 78.66 70.06 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.748 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.509 ' C ' ' H ' ' A' ' 136' ' ' TYR . 50.7 Cg_exo -51.42 -4.11 0.08 OUTLIER 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.713 2.276 . . . . 0.0 112.357 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.52 ' H ' ' C ' ' A' ' 133' ' ' ASP . 5.8 mt -57.17 -4.4 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.583 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.509 ' H ' ' C ' ' A' ' 134' ' ' PRO . 1.5 p90 -46.14 -23.84 0.37 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.682 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 41.9 tttp -76.8 -62.27 1.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.335 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -52.2 -19.58 2.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.286 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -77.67 -55.3 5.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.361 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.9 tt -54.67 -20.66 8.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.333 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -83.99 -61.04 1.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.158 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -64.42 -24.19 67.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.963 -179.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 16.1 tp -79.98 -53.22 6.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.464 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -47.72 -42.23 24.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.456 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -23.07 67.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.607 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.36 -20.2 55.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.616 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 112.59 -34.36 5.18 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -41.83 151.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.757 0.313 . . . . 0.0 110.469 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -97.4 137.96 35.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.572 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.31 119.99 45.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.493 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.16 161.87 41.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.596 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -90.91 144.26 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.53 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.587 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 9.3 ttt -55.88 115.01 2.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.502 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 23.8 p -98.16 167.05 11.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.645 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -48.14 -58.15 4.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.565 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.84 -46.94 21.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.633 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.64 -38.12 89.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.778 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.587 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 1.1 m-85 -62.21 -46.62 88.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.775 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 14.3 ttpp -55.29 -52.24 64.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.599 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -67.32 -54.51 20.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.779 -179.667 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.599 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 8.4 t -56.3 -23.78 38.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.018 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' TRP . . . . . 0.632 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 3.2 t-105 -72.45 -68.07 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.89 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . 0.632 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.5 OUTLIER -64.57 -14.18 56.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.331 -179.23 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 98.3 m -82.91 -26.19 31.73 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.811 -0.355 . . . . 0.0 111.091 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -121.6 18.8 11.22 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.515 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.558 ' C ' ' H ' ' A' ' 168' ' ' HIS . 65.6 t -134.36 154.57 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 121.102 0.477 . . . . 0.0 111.266 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . 0.432 ' N ' ' CG1' ' A' ' 166' ' ' VAL . 1.6 t70 -76.08 33.24 0.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.557 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.733 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -37.95 -52.69 1.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.097 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . 0.623 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 15.0 mm-40 39.93 17.9 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.454 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . 0.733 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 141.68 -0.67 1.7 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . 0.606 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 1.4 m -114.31 86.89 12.68 Favored Pre-proline 0 CA--C 1.531 0.214 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -78.08 162.33 28.96 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.06 1.84 . . . . 0.0 112.732 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -51.53 136.45 26.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.644 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -120.21 84.45 34.2 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.657 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -48.66 138.97 24.74 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 122.257 1.971 . . . . 0.0 112.194 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -100.74 178.34 4.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.633 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . 0.435 ' N ' ' OD1' ' A' ' 177' ' ' ASP . 1.2 m-20 -81.25 86.8 6.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.582 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 155.8 -19.41 0.5 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.5 -45.7 80.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.529 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -59.49 4.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.622 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -55.15 -61.78 2.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.592 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -42.48 -42.36 3.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.593 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 2.8 t -58.28 -49.36 77.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.621 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -53.71 -35.75 61.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -61.81 -59.54 5.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.547 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 7.7 mt -55.96 -57.94 9.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.532 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 1.1 m -52.56 -44.49 65.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.557 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -52.12 -37.47 46.25 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -66.25 -58.82 4.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.788 0.327 . . . . 0.0 110.569 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -46.95 -39.16 11.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.416 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -66.32 -48.82 69.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.522 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -47.66 -48.86 28.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.564 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . 0.437 ' CD1' ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -69.56 -30.6 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.597 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 2.3 tp -73.11 0.22 12.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.535 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.46 -65.77 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.613 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -144.89 143.69 30.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.592 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 199' ' ' ASN . 14.4 tt0 -53.35 -64.44 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.574 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -62.38 77.78 0.03 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 199' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 197' ' ' GLN . 1.1 m120 . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.618 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 mmt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -70.22 112.35 6.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.534 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.75 -56.97 4.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.615 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.1 t 52.33 60.04 13.69 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.642 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -73.27 -86.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.608 0 C-N-CA 122.652 2.234 . . . . 0.0 112.18 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 67.05 175.39 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.606 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.98 160.14 39.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.514 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.84 68.17 0.22 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -50.13 127.79 20.67 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.862 2.374 . . . . 0.0 112.137 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -162.3 -77.42 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.486 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -167.98 86.71 0.22 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.421 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.562 ' CD2' ' N ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -98.36 174.31 6.55 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.397 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.1 ptp -76.97 167.49 21.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.079 179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -74.7 123.92 89.34 Favored Pre-proline 0 CA--C 1.539 0.52 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.614 -179.617 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.424 ' O ' ' OG1' ' A' ' 19' ' ' THR . 72.2 Cg_exo -43.24 -17.1 0.09 OUTLIER 'Trans proline' 0 N--CA 1.491 1.348 0 C-N-CA 121.767 1.645 . . . . 0.0 111.546 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.568 ' CG ' ' N ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -75.41 -58.31 3.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.001 -179.707 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.568 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 26.3 pt -61.86 -19.69 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.888 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -74.0 -61.26 1.91 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.663 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -53.69 -23.92 12.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.162 179.618 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.503 ' C ' ' H ' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -85.21 -61.05 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.609 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -55.98 -6.28 0.23 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.711 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.503 ' H ' ' C ' ' A' ' 20' ' ' SER . 34.8 m-85 -127.99 12.6 6.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.734 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.39 109.56 12.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.584 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.414 ' OD1' ' NH2' ' A' ' 128' ' ' ARG . 0.5 OUTLIER -41.08 135.68 1.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.648 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.726 ' H ' HH12 ' A' ' 128' ' ' ARG . . . 88.37 98.61 0.96 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.4 pt -147.85 -171.67 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.736 0.303 . . . . 0.0 110.545 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.58 46.62 0.07 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.52 162.12 35.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.767 0.318 . . . . 0.0 110.576 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -99.87 100.97 11.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.77 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -172.51 36.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.217 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.517 ' OG1' ' ND2' ' A' ' 57' ' ' ASN . 1.3 p -47.49 162.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.946 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -125.28 149.03 48.43 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.379 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.6 tp -134.25 112.97 11.5 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.618 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.0 103.06 12.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.955 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.467 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 34.4 p90 -95.4 136.97 35.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 -179.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -121.83 157.54 30.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.961 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.2 t -135.19 128.87 49.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.353 . . . . 0.0 110.86 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.57 139.44 31.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.609 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.489 HH22 ' CD ' ' A' ' 88' ' ' GLN . 5.6 ptm85 -92.16 146.49 23.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.591 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 mp -103.89 132.35 50.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.634 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -145.17 101.98 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.589 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 56.72 38.69 29.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.52 -26.98 8.27 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.7 m -72.3 114.51 10.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.77 0.319 . . . . 0.0 110.601 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.0 m -102.02 106.91 17.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.586 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 63.4 t -95.29 132.4 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.411 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -89.76 136.85 32.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.644 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -91.15 146.21 24.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.481 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.68 -49.81 6.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.612 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -97.9 72.33 2.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.615 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -170.42 -7.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.556 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.2 ptt180 -103.57 170.77 7.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.625 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.467 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . 177.17 178.94 47.26 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -142.16 147.69 37.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.827 0.346 . . . . 0.0 110.714 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mp -134.85 178.57 6.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.701 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.628 ' CE1' HH22 ' A' ' 74' ' ' ARG . 10.2 p80 -135.31 160.58 37.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.577 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.517 ' ND2' ' OG1' ' A' ' 31' ' ' THR . 0.9 OUTLIER -54.66 170.02 0.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.895 0.378 . . . . 0.0 110.647 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 70.89 -173.27 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.542 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.401 ' O ' ' CB ' ' A' ' 60' ' ' LYS . . . -177.94 10.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.576 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 4.4 tttp 74.04 -155.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.61 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.9 m120 53.63 23.36 3.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.425 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.457 ' CD1' ' H ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -42.6 -45.55 4.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.561 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.463 ' C ' ' H ' ' A' ' 65' ' ' GLY . 3.2 mp -50.06 -40.15 44.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.719 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -2.41 1.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.606 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.463 ' H ' ' C ' ' A' ' 63' ' ' LEU . . . 83.5 11.9 79.23 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.25 -0.09 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 0.0 110.483 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.443 ' H ' ' C ' ' A' ' 65' ' ' GLY . 4.4 m-85 -41.78 126.8 3.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.528 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.8 68.69 1.3 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -131.49 133.69 45.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.794 0.331 . . . . 0.0 110.454 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.672 ' CD2' ' H ' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -102.04 148.29 25.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.63 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.441 ' H ' ' ND2' ' A' ' 57' ' ' ASN . . . -56.27 -36.3 68.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.484 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.456 ' CB ' ' SG ' ' A' ' 106' ' ' CYS . 1.1 mm-40 -45.65 -42.28 11.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.661 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.509 ' CD1' ' CE1' ' A' ' 70' ' ' HIS . 13.9 mt -68.31 -57.63 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.486 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.628 HH22 ' CE1' ' A' ' 56' ' ' HIS . 5.0 ttm180 -47.42 -26.44 1.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.379 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -79.14 -37.39 38.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.435 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.94 -30.12 68.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.26 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -74.17 -18.12 60.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.386 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.31 -27.89 42.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.604 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.7 t -38.69 -59.81 1.26 Allowed Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.556 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.521 ' C ' ' H ' ' A' ' 82' ' ' LEU . 8.5 Cg_endo -50.62 -42.51 49.6 Favored 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 121.884 1.723 . . . . 0.0 111.998 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.57 -8.95 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.571 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.521 ' H ' ' C ' ' A' ' 80' ' ' PRO . 44.9 mt -102.08 -24.38 13.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.522 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 47.79 50.84 14.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.68 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 mt -61.82 134.48 56.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.569 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.53 160.92 26.03 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.403 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' A' ' 87' ' ' ALA . 43.1 Cg_endo -70.01 3.83 2.66 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 122.525 2.15 . . . . 0.0 112.272 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 86' ' ' PRO . . . -41.21 -94.63 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.67 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.677 ' NE2' ' H ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -103.36 -177.06 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.575 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.42 ' CG2' ' N ' ' A' ' 90' ' ' TYR . 3.2 mm -84.94 157.48 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.559 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.42 ' N ' ' CG2' ' A' ' 89' ' ' ILE . 10.9 m-85 -136.01 168.81 18.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.673 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.518 ' NH1' HH11 ' A' ' 123' ' ' ARG . 11.2 ttt180 -148.12 112.42 5.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.449 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 82.3 t -96.8 118.88 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.3 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.9 m -102.59 121.6 42.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 27.9 m0 -100.6 131.14 46.67 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.98 0.419 . . . . 0.0 110.675 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -120.7 102.76 8.61 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 177.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -109.94 137.06 43.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.166 0.508 . . . . 0.0 111.934 -177.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.0 p -80.71 -26.59 37.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.453 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 13.2 m95 -110.87 178.3 4.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.018 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 100' ' ' PRO . 1.8 t -92.37 151.31 41.31 Favored Pre-proline 0 CA--C 1.532 0.272 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.581 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 99' ' ' SER . 64.2 Cg_exo -42.2 171.02 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.355 0 C-N-CA 122.195 1.93 . . . . 0.0 112.317 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.586 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 30.3 p -108.05 -126.8 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.391 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.586 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -73.42 105.74 4.92 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.2 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 89.4 p -40.03 -25.87 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.015 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.458 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -84.9 -29.34 25.28 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.201 -179.581 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -77.3 -61.69 2.58 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . 0.456 ' SG ' ' CB ' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -74.1 -69.17 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.688 0.28 . . . . 0.0 111.219 -179.644 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -50.69 -27.64 7.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.088 -179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.13 -56.89 10.49 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.17 -39.04 81.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.79 0.328 . . . . 0.0 110.528 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 91.0 t -69.48 -58.57 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.515 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -41.87 -59.02 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.438 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.28 -46.3 62.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.522 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.514 ' O ' ' N ' ' A' ' 117' ' ' ASN . 20.3 t80 -54.35 -48.44 71.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.627 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.448 ' C ' ' N ' ' A' ' 116' ' ' GLU . 6.9 mp -66.66 -58.52 4.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.573 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -47.71 -18.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.301 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 114' ' ' LEU . 30.2 tt0 -110.21 -25.4 10.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.514 ' N ' ' O ' ' A' ' 113' ' ' PHE . 2.5 m120 -137.03 53.9 1.88 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.843 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.0 t -61.83 2.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.827 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.511 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.1 OUTLIER -76.07 6.99 4.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.88 0.372 . . . . 0.0 110.313 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.1 p -131.68 144.61 36.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.488 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.35 148.7 22.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.389 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.08 112.95 10.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.689 -179.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.518 HH11 ' NH1' ' A' ' 91' ' ' ARG . 17.1 mtp180 -112.58 127.06 55.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.123 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.0 mm -105.93 121.33 58.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.091 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.403 ' CD1' ' OE1' ' A' ' 157' ' ' GLU . 61.1 m-85 -119.89 101.77 8.1 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.807 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -91.64 111.29 22.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.159 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -76.38 -56.39 4.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.115 -179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.726 HH12 ' H ' ' A' ' 25' ' ' GLY . 13.1 mtp180 -121.05 170.66 9.31 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.905 0.383 . . . . 0.0 110.784 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 6.2 mt -133.94 124.66 47.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.753 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -165.38 107.72 0.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.509 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.426 ' C ' ' H ' ' A' ' 133' ' ' ASP . 2.5 p30 -171.31 138.78 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.63 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -75.25 9.99 1.79 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.394 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.536 ' C ' ' H ' ' A' ' 135' ' ' LEU . 50.6 m-20 -120.84 81.97 34.77 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.503 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.521 ' C ' ' H ' ' A' ' 136' ' ' TYR . 50.3 Cg_exo -50.18 -4.26 0.06 OUTLIER 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 122.527 2.151 . . . . 0.0 112.543 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.536 ' H ' ' C ' ' A' ' 133' ' ' ASP . 5.4 mt -49.99 -10.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.624 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.521 ' H ' ' C ' ' A' ' 134' ' ' PRO . 1.1 p90 -48.9 -30.81 6.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.524 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.409 ' CG ' ' N ' ' A' ' 138' ' ' GLU . 33.1 pttt -61.08 -45.67 93.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.266 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.409 ' N ' ' CG ' ' A' ' 137' ' ' LYS . 4.8 tt0 -61.85 -37.74 85.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.401 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -58.67 -38.57 78.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.387 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.8 mt -67.28 -38.15 84.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.571 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -74.32 -60.74 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.662 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.8 mmm -46.47 -38.29 8.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.505 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 16.8 mt -64.9 -49.1 71.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.421 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -49.09 -53.34 21.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.505 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.422 ' N ' ' OD1' ' A' ' 145' ' ' ASP . 1.6 m-20 -58.15 -11.15 2.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.531 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -96.71 5.01 51.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.652 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 67.21 15.35 65.33 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -85.27 159.39 20.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.726 0.298 . . . . 0.0 110.579 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -96.7 134.09 40.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.55 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.87 116.58 30.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.537 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.18 160.21 42.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.612 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -85.79 142.38 13.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.49 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.54 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 4.5 ttt -49.91 122.31 6.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.521 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 25.1 p -100.51 177.12 5.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.688 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -63.64 -44.28 94.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.728 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.68 -46.11 90.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.622 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . 0.403 ' OE1' ' CD1' ' A' ' 125' ' ' PHE . 65.1 mt-10 -64.66 -29.15 70.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.63 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.54 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 0.5 OUTLIER -64.78 -51.59 61.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.664 -179.9 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . 0.431 ' O ' ' OD2' ' A' ' 163' ' ' ASP . 32.3 tttm -56.41 -49.66 73.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.592 ' CD2' ' N ' ' A' ' 161' ' ' CYS . 0.6 OUTLIER -66.94 -57.85 6.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.849 -179.714 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.592 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 12.7 t -56.41 -23.37 37.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.021 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' TRP . . . . . 0.614 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 6.6 t-105 -71.02 -70.68 0.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.18 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . 0.614 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.3 OUTLIER -66.91 -14.32 62.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.652 -179.025 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 79.8 m -81.28 -27.0 35.28 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.126 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -121.85 19.63 10.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.752 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.574 ' C ' ' H ' ' A' ' 168' ' ' HIS . 75.5 t -134.14 153.48 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 121.062 0.458 . . . . 0.0 111.552 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -76.12 34.55 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.282 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.728 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -41.22 -54.33 2.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.733 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . 0.623 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 64.4 mt-30 41.93 16.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.141 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . 0.728 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 144.16 -2.5 1.36 Allowed Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.367 -0.693 . . . . 0.0 111.367 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . 0.623 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 0.5 OUTLIER -98.97 107.19 42.46 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.783 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -77.12 158.34 33.91 Favored 'Trans proline' 0 N--CA 1.489 1.235 0 C-N-CA 121.711 1.607 . . . . 0.0 112.398 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -51.54 149.96 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.697 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -114.29 84.78 9.75 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.434 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -77.84 131.27 11.06 Favored 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 122.142 1.895 . . . . 0.0 112.198 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 27.9 p90 -92.27 176.18 6.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.564 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.28 86.46 5.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.366 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 180' ' ' ASP . . . -168.18 -22.33 0.02 OUTLIER Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . 0.441 ' O ' ' OG ' ' A' ' 183' ' ' SER . 10.4 mp -39.38 -30.11 0.06 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.934 0.397 . . . . 0.0 110.657 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 178' ' ' GLY . 1.9 m-20 -55.97 -63.41 1.19 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.212 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -84.89 -54.89 4.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' HIS . . . . . 0.461 ' ND1' ' C ' ' A' ' 182' ' ' HIS . 0.0 OUTLIER -41.71 -44.0 3.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.052 -179.337 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' A' ' 179' ' ' LEU . 5.5 p -78.99 -55.88 4.8 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.749 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . 0.417 ' N ' ' OG ' ' A' ' 183' ' ' SER . 31.6 mt-30 -49.23 -23.22 1.25 Allowed 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.402 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -79.29 -63.24 1.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.475 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 4.8 mt -58.77 -53.37 59.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.378 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 8.0 t -59.98 -43.33 95.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.257 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -51.64 -43.35 53.36 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 12.6 mmm-85 -59.84 -61.32 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.753 0.311 . . . . 0.0 110.234 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.9 mp -45.92 -45.11 15.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.35 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -53.15 -41.19 64.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.41 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -61.22 -41.85 97.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.563 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.8 mp -69.92 -34.79 61.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.466 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.46 -1.88 57.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.652 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -54.54 -15.75 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.566 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -62.76 -63.34 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.518 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.18 106.87 4.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.486 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 161.27 -138.45 5.46 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.535 -179.904 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.4 ' O ' ' OE2' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 1' ' ' MET . 1.4 mp0 -128.79 129.57 45.84 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.469 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -167.65 150.5 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.544 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.7 p 43.75 59.58 12.17 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.682 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -73.04 113.79 3.87 Favored 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 122.679 2.253 . . . . 0.0 112.146 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 49.78 179.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.648 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.0 t -103.33 -53.16 2.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.623 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.58 61.54 6.43 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -74.14 123.24 8.17 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.797 2.331 . . . . 0.0 112.33 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.3 mmt-85 -125.59 97.8 5.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.44 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 69.38 92.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.287 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.623 ' CD2' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -119.52 164.01 16.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.885 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 18.6 ptp -91.0 166.97 12.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.381 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.71 141.62 97.86 Favored Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.5 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.439 ' O ' ' OG1' ' A' ' 19' ' ' THR . 73.6 Cg_exo -41.14 -46.88 5.3 Favored 'Trans proline' 0 N--CA 1.489 1.259 0 C-N-CA 122.031 1.821 . . . . 0.0 112.366 179.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -67.49 -45.23 76.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.272 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.9 mm -48.84 -43.62 14.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.699 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -71.29 -60.96 1.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.788 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.529 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -44.48 -55.74 4.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.514 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.7 t -49.77 -52.1 34.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.685 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.42 ' OD1' ' CE1' ' A' ' 32' ' ' TYR . 6.8 m120 -63.02 -15.49 56.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.63 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -133.16 35.01 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.63 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 19' ' ' THR . 27.5 t-20 -98.69 59.56 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.613 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.429 ' O ' ' O ' ' A' ' 23' ' ' ASN . 12.2 t-20 41.77 94.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.577 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.616 ' H ' ' HE ' ' A' ' 128' ' ' ARG . . . 105.14 166.99 23.98 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.4 pp -140.39 -167.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 121.13 -0.228 . . . . 0.0 110.486 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -117.59 -88.76 1.33 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.97 137.1 3.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.0 110.617 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.6 m170 47.3 68.48 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.471 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.85 20.48 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.33 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 30.0 p -46.93 127.25 9.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.798 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.42 ' CE1' ' OD1' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -109.11 147.65 32.1 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.525 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.7 tp -142.96 111.73 6.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.365 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.539 ' SG ' ' CG ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -100.19 115.15 29.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.143 179.585 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.468 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 42.0 p90 -104.17 134.45 47.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.727 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 1.3 tm-20 -129.76 130.96 46.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.415 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.487 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 58.9 t -104.67 118.94 52.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.775 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -122.26 166.31 14.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.304 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -128.71 133.42 48.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.185 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 mp -101.4 99.09 9.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.836 0.351 . . . . 0.0 110.672 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.83 99.08 8.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.564 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 54.12 48.3 21.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.691 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.51 -24.9 4.69 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.6 m -71.04 101.18 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.734 0.302 . . . . 0.0 110.585 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.7 p -90.56 122.99 33.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.539 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -133.76 124.97 48.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.606 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 pttp -81.71 139.54 34.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.548 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 mmt -76.45 161.41 28.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.601 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.91 -50.25 5.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.552 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.446 ' O ' ' CG ' ' A' ' 50' ' ' GLN . 2.3 pt20 -106.71 77.4 1.18 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.407 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.458 ' ND1' ' CB ' ' A' ' 37' ' ' VAL . 8.3 t-80 -172.29 2.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.518 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -113.34 170.14 8.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.665 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.468 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . 172.75 -167.7 40.61 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -144.29 156.52 44.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.786 0.327 . . . . 0.0 110.617 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.2 mt -137.5 178.61 6.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.583 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -154.93 151.02 28.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.377 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 15.4 p-10 -68.72 167.7 14.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.732 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 40.84 86.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.694 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.56 ' CB ' ' NH1' ' A' ' 74' ' ' ARG . . . -109.36 95.31 5.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.541 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.85 104.96 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.553 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -141.2 134.13 29.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.642 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.498 ' N ' ' CD2' ' A' ' 62' ' ' LEU . 3.9 mm? -86.11 -3.8 59.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.481 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.9 mp -50.6 -50.79 53.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.671 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.469 ' O ' ' SG ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER -103.09 -11.36 18.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.551 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.19 -18.9 47.68 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 171.36 126.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 110.551 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -105.1 140.34 38.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.547 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -148.25 53.59 0.53 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -138.53 144.99 40.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.847 0.356 . . . . 0.0 110.588 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.654 ' CD2' ' H ' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -52.52 170.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.523 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.46 -42.23 62.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.408 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -50.84 -35.9 34.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.621 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.7 mp -70.5 -54.0 13.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.531 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.56 ' NH1' ' CB ' ' A' ' 59' ' ' ALA . 68.3 ttt180 -55.52 -24.66 33.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.353 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -74.51 -49.43 22.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.235 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.4 tp -61.42 -19.46 61.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.469 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -40.31 94.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.625 -179.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 pp -95.25 -5.32 43.98 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.283 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.408 ' CG1' ' CZ ' ' A' ' 113' ' ' PHE . 3.2 t -55.04 -58.06 16.6 Favored Pre-proline 0 CA--C 1.535 0.376 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.386 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.402 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 12.9 Cg_endo -56.82 -17.37 23.22 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.599 1.532 . . . . 0.0 111.827 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 p -66.74 -8.75 30.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.621 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 33.6 mt -92.28 -24.74 18.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.579 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 51.08 49.49 21.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.814 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.4 mt -58.25 136.86 57.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.348 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.0 161.38 25.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.62 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.88 -10.52 24.89 Favored 'Trans proline' 0 C--N 1.31 -1.481 0 C-N-CA 122.664 2.243 . . . . 0.0 112.1 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.43 ' C ' ' NE2' ' A' ' 88' ' ' GLN . . . -40.85 -77.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.691 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.57 ' NE2' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -109.54 161.47 15.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.453 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -89.08 153.33 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.415 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -129.23 132.17 47.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -97.97 110.58 23.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.771 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.7 t -90.64 110.28 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.203 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.74 119.36 32.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.67 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -103.55 132.02 50.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.786 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.535 ' CE1' ' OE1' ' A' ' 157' ' ' GLU . 79.5 m-85 -125.13 103.32 7.92 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.79 145.67 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.095 0.474 . . . . 0.0 111.886 -178.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.487 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 2.8 p -96.95 -29.54 13.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.955 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 15.8 m95 -111.72 140.78 46.06 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.583 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.03 160.7 54.3 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.426 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -60.25 173.01 2.13 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 122.517 2.144 . . . . 0.0 112.108 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -111.76 -57.35 2.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.2 OUTLIER -127.0 109.28 11.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.859 179.817 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.528 ' O ' ' N ' ' A' ' 108' ' ' GLY . 93.5 p -41.11 -34.67 0.47 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.893 -179.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -85.28 -22.81 28.42 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.371 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.36 -63.17 1.59 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.7 -67.99 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.643 0.258 . . . . 0.0 111.105 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.04 -31.06 69.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.935 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -65.23 -59.24 8.12 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -53.83 -27.91 32.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.91 0.386 . . . . 0.0 110.303 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.7 t -72.28 -63.01 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.75 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -51.2 -32.2 22.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.205 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.36 -61.62 2.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.148 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.408 ' CZ ' ' CG1' ' A' ' 79' ' ' VAL . 31.6 t80 -46.29 -31.36 2.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.175 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.3 tp -70.92 -52.9 17.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.27 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -48.67 -24.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.36 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -99.15 -46.35 5.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.16 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.518 ' O ' ' N ' ' A' ' 119' ' ' HIS . 3.1 m120 -104.3 41.59 1.29 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.998 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.493 ' C ' ' H ' ' A' ' 120' ' ' VAL . 15.1 t -45.56 -13.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.146 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.538 ' CE1' ' CG1' ' A' ' 120' ' ' VAL . 17.6 p80 -76.24 20.37 0.21 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.918 0.389 . . . . 0.0 110.579 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.538 ' CG1' ' CE1' ' A' ' 119' ' ' HIS . 4.2 m -142.0 146.58 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.825 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.32 148.45 22.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.191 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.18 112.31 14.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.618 -179.655 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.597 HH21 HE21 ' A' ' 149' ' ' GLN . 44.9 mtp180 -117.17 117.68 30.24 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.954 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.7 mt -105.63 134.76 46.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.372 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -127.13 116.25 20.37 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.438 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -95.31 113.83 25.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.254 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -85.93 -41.21 15.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.616 ' HE ' ' H ' ' A' ' 25' ' ' GLY . 0.5 OUTLIER -135.72 142.99 45.12 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.446 179.826 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.521 ' O ' ' CG ' ' A' ' 130' ' ' TYR . 0.5 OUTLIER -103.15 119.83 52.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.747 -179.754 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.521 ' CG ' ' O ' ' A' ' 129' ' ' ILE . 28.3 m-85 -164.64 119.77 1.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.451 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.521 ' C ' ' H ' ' A' ' 133' ' ' ASP . 1.8 p-10 -179.77 133.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.603 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -70.04 9.89 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.503 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.534 ' C ' ' H ' ' A' ' 135' ' ' LEU . 35.2 t0 -126.23 79.4 70.03 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.344 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.523 ' C ' ' H ' ' A' ' 136' ' ' TYR . 52.9 Cg_exo -49.11 -5.27 0.05 OUTLIER 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 122.669 2.246 . . . . 0.0 112.625 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.534 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.6 tp -49.17 -11.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.36 . . . . 0.0 110.63 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.523 ' H ' ' C ' ' A' ' 134' ' ' PRO . 0.1 OUTLIER -42.17 -26.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.534 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -62.83 -55.94 21.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.388 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -62.61 -18.77 62.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.432 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -67.83 -52.02 41.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.449 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.54 -35.61 81.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.52 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -71.58 -58.06 3.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.536 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 5.8 mmm -47.06 -36.44 8.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.491 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.1 tp -80.56 -34.01 35.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.585 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -52.98 -37.66 61.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.55 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.33 -3.04 58.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.525 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -95.29 -22.13 17.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.632 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 90.25 87.5 1.34 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -156.54 163.7 39.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.753 0.311 . . . . 0.0 110.537 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . 0.597 HE21 HH21 ' A' ' 123' ' ' ARG . 0.0 OUTLIER -103.1 108.31 19.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.678 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -116.82 121.35 67.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.436 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.36 162.09 41.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.825 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.3 tp -82.74 152.19 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.415 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 9.0 ttm -45.71 123.58 4.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.658 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 2.6 p -105.41 171.98 7.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.477 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -55.84 -59.22 5.18 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.397 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 156' ' ' ASP . 13.2 p-10 -60.7 -20.44 61.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . 0.535 ' OE1' ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -51.15 -66.19 0.43 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 -179.527 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.575 ' CE1' ' CE2' ' A' ' 173' ' ' PHE . 13.2 p90 -72.32 -29.69 64.06 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.136 -179.233 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . 0.445 ' N ' ' CD1' ' A' ' 158' ' ' PHE . 19.9 tttp -49.28 -60.75 2.55 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.543 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.552 ' CD2' ' N ' ' A' ' 161' ' ' CYS . 0.2 OUTLIER -68.22 -57.74 5.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.901 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.552 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 1.7 m -47.29 -31.58 3.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.837 -179.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' TRP . . . . . 0.514 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 15.5 t-105 -66.86 -70.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.475 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . 0.514 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -52.96 -19.42 2.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.843 -179.839 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 5.1 m -87.69 -57.13 3.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.955 -179.203 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.539 ' CG ' ' SG ' ' A' ' 34' ' ' CYS . 65.4 m-85 -85.72 20.0 2.29 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.531 ' C ' ' H ' ' A' ' 168' ' ' HIS . 61.1 t -144.03 134.87 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.295 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 169' ' ' GLN . 10.3 t0 -74.98 41.52 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 178.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.682 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -44.47 -15.75 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.542 -179.612 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . 0.528 ' N ' ' O ' ' A' ' 167' ' ' ASP . 35.3 mm-40 42.78 15.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.474 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . 0.682 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 122.79 29.79 1.22 Allowed Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.439 -0.665 . . . . 0.0 111.439 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . 0.584 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.8 OUTLIER -116.12 85.21 14.92 Favored Pre-proline 0 CA--C 1.534 0.333 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.695 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -47.96 162.17 0.3 Allowed 'Trans proline' 0 N--CA 1.492 1.412 0 C-N-CA 122.428 2.086 . . . . 0.0 112.582 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . 0.575 ' CE2' ' CE1' ' A' ' 158' ' ' PHE . 56.1 t80 -54.53 149.92 9.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.175 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -114.51 86.0 11.87 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.203 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -78.13 139.17 16.79 Favored 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 122.167 1.912 . . . . 0.0 112.649 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 42.9 p90 -98.12 -165.64 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.525 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -101.72 109.99 21.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.627 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 152.24 -19.11 0.82 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.856 -0.897 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . 0.431 ' O ' ' OG ' ' A' ' 183' ' ' SER . 4.3 mp -40.5 -41.52 1.45 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.736 0.303 . . . . 0.0 110.743 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . 0.48 ' N ' ' OD1' ' A' ' 180' ' ' ASP . 17.4 p-10 -68.74 -52.18 33.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.839 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -60.84 -61.69 2.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.737 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' HIS . . . . . 0.422 ' CD2' HD22 ' A' ' 24' ' ' ASN . 68.4 m-70 -48.55 -55.0 12.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.603 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 179' ' ' LEU . 59.3 p -50.01 -46.69 53.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.634 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -61.37 -36.97 81.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.536 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -70.05 -65.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.58 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 7.0 mt -52.3 -53.2 47.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.536 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 17.5 t -55.65 -33.16 63.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.502 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -59.06 -48.17 87.22 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -60.19 -51.51 69.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 110.451 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.88 -48.33 31.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -66.56 -27.64 67.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.56 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -60.88 -40.43 92.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.577 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . 0.447 ' CD1' ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -84.79 -27.39 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.566 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.508 ' C ' ' H ' ' A' ' 196' ' ' ASN . 1.0 OUTLIER -94.06 17.3 12.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.644 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . 0.553 ' NE2' ' N ' ' A' ' 196' ' ' ASN . 0.4 OUTLIER -66.35 5.71 0.52 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.643 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 196' ' ' ASN . . . . . 0.553 ' N ' ' NE2' ' A' ' 195' ' ' GLN . 1.9 m120 -92.46 84.03 5.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.52 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -102.39 175.12 5.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.538 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -143.13 98.01 0.21 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.569 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.6 141.38 56.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.566 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -99.44 36.0 1.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.55 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -42.7 163.02 0.15 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.475 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -38.55 107.43 0.06 OUTLIER 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.7 2.266 . . . . 0.0 112.21 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.03 -12.77 61.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.514 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.4 t -56.29 145.92 25.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.612 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -178.34 61.24 0.09 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -74.76 82.55 1.93 Allowed 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.772 2.314 . . . . 0.0 112.031 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.79 -109.35 0.33 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.598 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.2 p-80 -132.85 78.15 1.78 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.485 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.591 ' CD2' ' N ' ' A' ' 12' ' ' LEU . 1.5 mm? -100.87 172.96 6.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.951 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.489 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 1.7 mpp? -84.56 160.33 20.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.216 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -76.33 145.77 76.74 Favored Pre-proline 0 CA--C 1.535 0.393 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.481 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -40.56 -53.01 2.9 Favored 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 122.172 1.915 . . . . 0.0 112.341 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -63.14 -49.23 75.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.099 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.9 mm -48.9 -39.8 11.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.85 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -72.16 -60.55 2.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.756 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 23' ' ' ASN . 40.0 p -47.89 -40.96 23.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.684 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 t -60.51 -51.04 71.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.638 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.603 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 14.3 m120 -73.98 -4.71 36.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.574 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -133.26 25.22 4.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.539 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' A' ' 19' ' ' THR . 0.6 OUTLIER -75.08 59.39 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.498 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.535 HD22 ' CD2' ' A' ' 182' ' ' HIS . 5.1 t-20 42.05 -144.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.472 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -42.75 126.25 4.64 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.407 ' O ' ' OH ' ' A' ' 130' ' ' TYR . 5.9 pt -135.12 -174.96 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.828 0.347 . . . . 0.0 110.576 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.79 83.35 0.08 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.522 ' O ' ' CH2' ' A' ' 98' ' ' TRP . 0.2 OUTLIER -162.52 157.35 22.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 110.526 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -93.65 82.15 4.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.537 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -169.71 45.17 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.678 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.0 t -46.58 148.88 0.88 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.858 0.361 . . . . 0.0 111.125 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.603 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -110.43 148.27 32.37 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.643 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 tp -138.55 111.13 7.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.152 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.41 112.17 25.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.329 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.562 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 20.8 p90 -102.53 139.52 38.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 1.1 tm-20 -125.51 139.17 53.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.198 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.519 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 8.7 t -110.17 128.22 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -136.61 149.58 48.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.389 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.488 ' NH1' ' OD2' ' A' ' 41' ' ' ASP . 58.4 ttt-85 -104.42 133.58 49.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.602 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 tp -91.31 127.94 36.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.578 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.488 ' OD2' ' NH1' ' A' ' 39' ' ' ARG . 1.7 t70 -143.38 106.71 4.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.609 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.48 ' C ' ' H ' ' A' ' 44' ' ' THR . 49.2 t30 57.12 43.46 24.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.565 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.15 -25.43 1.9 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.48 ' H ' ' C ' ' A' ' 42' ' ' ASN . 96.3 m -79.71 113.03 17.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 0.0 110.548 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.1 p -79.44 148.79 31.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.546 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.2 t -128.79 99.73 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.495 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -68.77 136.69 53.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.571 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 mtp -97.16 150.44 20.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.587 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -93.46 -50.08 5.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.635 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.421 ' O ' ' OE1' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -100.14 74.5 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.482 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.44 ' ND1' ' CB ' ' A' ' 37' ' ' VAL . 24.2 t-80 -172.25 -5.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.476 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.9 170.97 7.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.555 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -175.91 178.52 47.39 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -139.51 148.23 42.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.725 0.298 . . . . 0.0 110.566 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mt -135.87 176.21 8.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.579 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.407 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -139.81 152.82 46.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.328 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.551 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 3.1 p-10 -51.09 173.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.612 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.55 ' NE2' ' CE1' ' A' ' 67' ' ' TYR . 2.7 tt0 58.75 160.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.488 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -169.44 -81.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.53 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.6 9.13 2.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.578 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -101.78 32.0 3.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.537 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 pp -76.76 -29.89 56.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.582 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.25 -12.17 44.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.613 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.89 4.57 28.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.572 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.54 37.12 62.3 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -128.77 26.93 5.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.857 0.361 . . . . 0.0 110.5 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.55 ' CE1' ' NE2' ' A' ' 58' ' ' GLN . 5.0 t80 -43.99 133.39 5.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.663 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.94 33.29 11.15 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.3 ttt-85 -69.77 105.31 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.363 . . . . 0.0 110.584 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -44.65 126.95 5.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.623 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.1 -15.24 3.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.27 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -48.2 -52.22 21.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.472 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.4 mt -63.07 -51.9 64.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.353 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.87 -28.36 22.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.3 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.562 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 54.9 t80 -79.8 -39.4 30.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.371 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.1 tp -58.77 -23.8 60.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.058 0.456 . . . . 0.0 110.055 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.1 -15.62 61.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.53 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.6 tt -93.42 -16.37 24.65 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.194 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.562 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -58.03 -42.05 93.1 Favored Pre-proline 0 CA--C 1.532 0.278 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.57 -178.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 9.5 Cg_exo -68.27 -24.07 38.04 Favored 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.519 2.146 . . . . 0.0 111.913 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -8.57 54.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.816 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.454 ' C ' ' H ' ' A' ' 84' ' ' LEU . 29.7 mt -98.29 2.29 48.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.778 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 51.63 12.36 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.662 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.454 ' H ' ' C ' ' A' ' 82' ' ' LEU . 0.9 OUTLIER -47.99 120.73 3.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.522 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.74 162.31 20.08 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -73.26 -25.91 15.19 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 C-N-CA 122.618 2.212 . . . . 0.0 112.005 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.429 ' C ' ' NE2' ' A' ' 88' ' ' GLN . . . -40.47 -71.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.792 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.639 ' NE2' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -84.01 -175.61 5.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.526 -179.796 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.458 ' O ' ' CD1' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -121.83 157.28 25.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.251 179.736 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.458 ' CD1' ' O ' ' A' ' 89' ' ' ILE . 62.8 m-85 -150.69 135.91 17.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.96 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.568 HH21 ' CZ ' ' A' ' 123' ' ' ARG . 4.7 ttp180 -91.19 109.77 21.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.522 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 38.1 t -95.63 116.82 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.043 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.58 114.25 28.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.343 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 23.9 m0 -100.54 132.26 46.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.799 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -125.14 103.24 7.88 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.14 144.71 17.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.365 -178.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.488 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 1.6 p -94.58 -27.96 15.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.111 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.522 ' CH2' ' O ' ' A' ' 28' ' ' ARG . 17.5 m95 -111.65 147.08 36.29 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.169 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -70.3 157.92 88.79 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.642 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' A' ' 99' ' ' SER . 53.8 Cg_exo -42.32 171.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 122.462 2.108 . . . . 0.0 112.354 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 p -116.01 -44.68 2.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.292 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.524 ' O ' ' N ' ' A' ' 105' ' ' GLY . 3.2 t80 -143.79 114.39 7.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.976 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 54.1 p -42.88 -36.14 1.41 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.795 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -84.98 -19.2 32.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.086 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.45 -62.89 1.6 Allowed Glycine 0 CA--C 1.526 0.754 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.442 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.59 -69.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 0.0 111.328 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.97 -21.88 59.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.012 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -73.01 -59.6 4.22 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -53.13 -38.86 63.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.785 0.326 . . . . 0.0 110.548 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 74.6 t -69.68 -54.69 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.768 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 61.8 ttt-85 -44.94 -59.3 2.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.715 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.69 -61.55 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.473 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 117' ' ' ASN . 55.8 t80 -45.68 -42.97 12.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.376 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.46 ' C ' ' N ' ' A' ' 116' ' ' GLU . 1.5 mp -63.67 -58.57 6.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.502 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -46.86 -17.71 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.268 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.46 ' N ' ' C ' ' A' ' 114' ' ' LEU . 3.4 mt-10 -108.79 -30.18 8.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.099 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.509 ' C ' ' H ' ' A' ' 119' ' ' HIS . 3.6 m-80 -127.25 49.29 2.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.969 0.414 . . . . 0.0 110.78 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.449 ' C ' ' H ' ' A' ' 120' ' ' VAL . 0.1 OUTLIER -59.61 -1.0 0.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.777 179.884 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.509 ' H ' ' C ' ' A' ' 117' ' ' ASN . 7.9 p80 -76.31 13.35 0.95 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.945 0.402 . . . . 0.0 110.308 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.449 ' H ' ' C ' ' A' ' 118' ' ' THR . 15.4 m -131.89 133.51 60.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.689 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -91.51 100.71 13.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.192 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.74 112.6 21.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.64 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.568 ' CZ ' HH21 ' A' ' 91' ' ' ARG . 17.8 mtm180 -112.31 120.36 41.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.167 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 12.6 mt -106.0 129.58 58.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.031 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -123.05 98.24 5.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.062 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.08 108.81 10.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.491 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -78.57 -38.79 39.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.455 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.488 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -138.63 147.53 43.02 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.678 179.878 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.444 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 0.9 OUTLIER -105.16 141.1 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.561 -179.869 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.463 ' HH ' ' NH2' ' A' ' 128' ' ' ARG . 4.4 m-85 -168.63 135.17 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.566 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.41 171.66 3.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.545 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -104.01 -16.97 15.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.588 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.47 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -139.05 162.65 51.18 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.48 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -70.52 17.93 0.23 Allowed 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.573 2.182 . . . . 0.0 112.103 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.47 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.3 mt -61.81 -34.06 75.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.628 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -52.26 -21.26 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.622 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -70.61 -53.83 14.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.522 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -67.21 -21.21 65.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.587 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.95 -50.46 49.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.508 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.6 mp -61.76 -48.23 81.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.62 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -63.19 -59.73 4.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.513 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -44.53 -31.39 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.583 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.1 tp -81.9 -39.18 24.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.569 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -51.63 -33.83 34.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.599 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -73.45 -16.05 61.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.601 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.7 -19.93 51.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.606 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 102.55 -22.5 37.22 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -54.24 164.29 0.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.492 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -101.69 130.12 47.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.524 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.15 110.88 17.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.54 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 34.8 t -149.74 162.06 41.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.54 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . 0.444 ' CD1' ' N ' ' A' ' 152' ' ' ILE . 1.7 mp -80.01 137.03 22.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.487 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 1.1 tpt -43.53 133.18 4.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.562 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 60.4 p -104.3 151.91 22.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.56 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -45.42 -49.67 13.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.602 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -57.82 -49.99 74.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.483 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.22 -28.66 68.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.588 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.03 -38.89 86.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.531 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 17.1 tttm -65.96 -46.9 76.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.592 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.59 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.39 -52.7 24.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.349 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.59 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 10.7 t -58.19 -23.57 56.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.592 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' TRP . . . . . 0.629 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 3.8 t-105 -71.45 -70.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.822 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . 0.629 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -62.71 -26.47 68.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.126 -179.524 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 91.6 m -70.82 -23.14 62.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.412 -179.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.489 ' O ' ' SD ' ' A' ' 13' ' ' MET . 52.1 m-85 -121.31 18.75 11.45 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.575 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.526 ' C ' ' H ' ' A' ' 168' ' ' HIS . 25.0 t -142.25 137.87 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.814 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . 0.522 ' C ' ' H ' ' A' ' 169' ' ' GLN . 2.4 p-10 -71.95 41.33 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.039 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.665 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.2 OUTLIER -50.93 -11.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.07 -179.839 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . 0.522 ' H ' ' C ' ' A' ' 167' ' ' ASP . 29.8 mm-40 44.72 14.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.958 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . 0.665 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 119.29 38.4 0.74 Allowed Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.626 -0.59 . . . . 0.0 111.626 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . 0.664 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.1 OUTLIER -120.45 109.47 36.59 Favored Pre-proline 0 CA--C 1.538 0.485 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 179.634 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -78.76 132.03 10.57 Favored 'Trans proline' 0 N--CA 1.488 1.155 0 C-N-CA 121.832 1.688 . . . . 0.0 112.143 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . 0.461 ' O ' ' CD2' ' A' ' 173' ' ' PHE . 1.2 t80 -83.94 119.48 24.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.671 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.18 156.56 46.2 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.93 138.15 30.74 Favored 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 122.382 2.055 . . . . 0.0 112.215 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -87.21 -171.54 3.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.333 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.87 94.65 9.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.402 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 138.66 -19.39 3.16 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 2.9 tt -44.88 -39.3 5.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.881 0.372 . . . . 0.0 110.546 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . 0.445 ' CG ' ' N ' ' A' ' 181' ' ' GLU . 0.9 OUTLIER -79.03 -44.07 22.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.537 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . 0.445 ' N ' ' CG ' ' A' ' 180' ' ' ASP . 59.7 mt-10 -54.58 -56.53 18.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.55 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' HIS . . . . . 0.535 ' CD2' HD22 ' A' ' 24' ' ' ASN . 93.0 m-70 -61.55 -52.99 62.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.549 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 58.5 m -48.17 -45.61 33.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.56 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -62.72 -39.86 95.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.565 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -62.36 -58.69 6.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.495 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 38.7 mt -59.81 -53.83 53.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.536 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 64.8 m -50.67 -41.69 55.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.573 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -55.81 -55.27 29.84 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.88 -55.53 9.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.844 0.354 . . . . 0.0 110.575 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.84 -48.9 76.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.372 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 2.0 mtm-85 -49.54 -26.34 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.547 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -83.84 -33.7 24.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.541 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . 0.418 ' C ' ' H ' ' A' ' 195' ' ' GLN . 19.1 mt -70.6 -34.76 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.53 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.8 mp -69.52 3.56 2.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.55 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . 0.418 ' H ' ' C ' ' A' ' 193' ' ' ILE . 5.4 mm-40 52.4 89.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.584 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 196' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 196' ' ' ASN . 24.7 t30 50.78 52.12 15.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.611 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 62.47 142.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.572 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -84.86 15.96 39.75 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.584 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 ttp . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -167.94 -170.46 1.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.592 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -43.89 155.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.586 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.5 p -162.98 66.95 1.72 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.619 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -47.31 164.62 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.833 2.355 . . . . 0.0 112.07 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -99.47 50.02 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.588 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.0 p -101.53 -0.74 34.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.627 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.88 61.19 5.88 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -74.54 175.67 10.75 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.772 2.314 . . . . 0.0 112.145 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 -52.89 127.44 23.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.525 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.436 ' CD2' ' O ' ' A' ' 12' ' ' LEU . 19.6 t-160 -95.42 117.38 30.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.591 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.436 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 7.6 mp -102.76 173.47 6.31 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.047 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 50.4 mtm -62.59 146.1 52.78 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.103 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 2.4 m-20 -65.66 141.71 97.93 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.599 -179.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.408 ' O ' ' OG1' ' A' ' 19' ' ' THR . 85.0 Cg_exo -40.81 -55.46 2.0 Favored 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 122.079 1.853 . . . . 0.0 112.22 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.412 ' O ' ' OG ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -60.69 -48.76 80.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.188 -179.631 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 mm -48.89 -51.5 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.649 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.42 ' CZ ' ' CD2' ' A' ' 22' ' ' PHE . 41.7 t80 -59.91 -60.87 3.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.663 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -45.34 -56.19 5.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.603 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.412 ' OG ' ' O ' ' A' ' 16' ' ' HIS . 1.1 m -52.45 -31.25 33.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.636 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.494 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 19.7 m120 -87.16 -10.76 51.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.625 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.42 ' CD2' ' CZ ' ' A' ' 18' ' ' PHE . 45.0 m-85 -133.21 28.62 4.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.475 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 19' ' ' THR . 26.8 t-20 -90.81 105.94 18.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.515 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.573 HD21 HH12 ' A' ' 128' ' ' ARG . 0.1 OUTLIER -41.26 150.59 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.614 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.571 ' H ' ' NH2' ' A' ' 128' ' ' ARG . . . 73.18 72.83 0.93 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 pt -137.55 175.29 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.601 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -162.25 9.47 0.1 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.5 ' O ' ' CZ2' ' A' ' 98' ' ' TRP . 0.1 OUTLIER -71.56 153.86 41.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.58 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -95.78 84.89 3.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.499 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -171.35 51.21 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.718 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.7 t -46.67 147.6 1.21 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.494 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -110.93 147.71 34.06 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.608 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.407 ' C ' ' CD2' ' A' ' 33' ' ' LEU . 3.5 tt -138.44 114.41 10.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.647 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.83 116.26 31.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.268 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.465 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 12.2 p90 -107.27 134.48 50.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.681 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.409 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 2.0 tm-20 -128.31 143.3 51.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.458 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.409 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 38.5 t -108.45 135.39 47.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.791 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -141.37 122.12 14.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.488 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -93.2 138.7 31.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.57 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.7 mt -86.43 149.02 25.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.543 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.71 96.96 1.8 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.515 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.513 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 0.9 OUTLIER 58.62 52.67 6.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.576 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.28 -6.38 4.31 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.466 ' H ' ' C ' ' A' ' 42' ' ' ASN . 0.6 OUTLIER -95.57 110.35 22.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.341 . . . . 0.0 110.595 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.8 p -80.08 116.06 19.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.541 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 84.1 t -100.96 114.38 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.6 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -78.85 141.42 37.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.465 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.59 142.69 31.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.743 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.466 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -96.11 -50.17 4.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.469 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -92.85 59.01 3.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.408 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -168.37 31.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.427 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.466 ' NH2' ' O ' ' A' ' 49' ' ' ASP . 0.4 OUTLIER -132.42 170.72 14.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.505 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -174.45 -178.82 44.64 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -149.47 138.94 21.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.712 0.291 . . . . 0.0 110.655 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 mp -135.35 162.08 33.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.513 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -131.05 160.64 34.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.45 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -78.28 149.71 33.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.624 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -85.96 7.5 24.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.485 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 60' ' ' LYS . . . 45.84 39.6 5.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.582 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 59' ' ' ALA . 27.3 mtpt 55.03 164.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.614 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -155.92 85.55 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.501 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.11 10.38 14.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.553 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.5 mt -57.85 -50.93 71.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.616 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.32 12.08 24.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.603 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.45 34.58 39.78 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -135.83 99.83 4.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.815 0.341 . . . . 0.0 110.476 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.614 ' N ' ' CD1' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -82.39 143.55 31.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.536 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -87.57 -157.57 31.63 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.32 145.56 49.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.843 0.354 . . . . 0.0 110.424 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.658 ' CD2' ' H ' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -48.56 175.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.577 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.03 -29.04 55.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.424 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.492 ' OE2' ' SG ' ' A' ' 106' ' ' CYS . 34.4 mt-10 -68.31 -36.9 80.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.409 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 mp -72.72 -59.42 2.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.479 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.49 -30.67 8.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.382 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -74.12 -45.83 46.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.392 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -20.15 65.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.319 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -76.95 -27.83 54.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.011 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.422 ' C ' ' CD1' ' A' ' 78' ' ' LEU . 4.1 pp -106.14 7.25 31.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.584 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -64.29 -41.35 59.67 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 179.851 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 28.1 Cg_exo -58.88 -17.88 39.22 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.192 1.928 . . . . 0.0 111.84 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.1 m -56.89 -8.9 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.577 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.442 ' H ' ' C ' ' A' ' 80' ' ' PRO . 20.7 mt -101.19 -43.58 5.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.436 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 67.56 47.63 1.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.716 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 mt -56.16 136.06 52.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.44 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -101.6 157.48 33.59 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.476 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -69.9 -1.09 8.0 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 122.388 2.058 . . . . 0.0 112.096 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.469 ' C ' ' NE2' ' A' ' 88' ' ' GLN . . . -41.65 -75.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.603 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.55 ' NE2' ' N ' ' A' ' 88' ' ' GLN . 0.3 OUTLIER -111.64 -179.58 3.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.462 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.5 mt -89.23 157.52 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.601 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -133.5 161.1 35.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.687 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.4 ttm180 -142.75 103.95 4.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.553 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.0 t -89.06 123.11 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.433 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.24 117.04 30.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.745 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 14.9 m0 -100.25 132.48 45.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.008 0.433 . . . . 0.0 110.081 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.581 ' CE2' ' SG ' ' A' ' 161' ' ' CYS . 58.4 m-85 -125.41 102.87 7.61 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.51 129.18 63.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.573 -178.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 1.4 p -83.79 -27.87 28.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.247 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.5 ' CZ2' ' O ' ' A' ' 28' ' ' ARG . 19.3 m95 -113.05 139.2 48.89 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.361 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.565 ' HG ' ' N ' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -52.85 163.0 0.88 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.635 179.853 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.565 ' N ' ' HG ' ' A' ' 99' ' ' SER . 56.6 Cg_endo -72.62 167.34 27.39 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.651 2.234 . . . . 0.0 112.234 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.549 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 17.9 p -107.13 -142.29 0.38 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.338 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.549 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -44.2 100.18 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.485 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.496 ' O ' ' SD ' ' A' ' 142' ' ' MET . 16.7 t -40.85 -25.45 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.508 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.451 ' N ' ' O ' ' A' ' 102' ' ' PHE . 24.7 t90 -86.04 -28.25 24.26 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.598 -179.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -81.47 -61.88 2.03 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . 0.492 ' SG ' ' OE2' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -69.74 -68.98 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 0.0 110.928 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.31 -53.4 44.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.692 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -42.28 -56.57 3.98 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -46.82 -48.9 20.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.863 0.363 . . . . 0.0 110.115 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.25 -52.88 54.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.432 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.501 ' NH2' ' OE1' ' A' ' 115' ' ' GLN . 65.8 ttt-85 -42.01 -58.9 1.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.471 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.15 -55.35 8.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.291 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.512 ' O ' ' N ' ' A' ' 117' ' ' ASN . 17.1 t80 -51.96 -47.02 65.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.459 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 117' ' ' ASN . 2.4 mt -59.33 -58.46 8.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.492 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.501 ' OE1' ' NH2' ' A' ' 111' ' ' ARG . 21.6 mt-30 -48.97 -20.45 0.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.194 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 114' ' ' LEU . 3.1 mt-10 -109.92 -9.04 14.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.655 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 113' ' ' PHE . 70.3 m-80 -134.11 37.44 3.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.753 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.2 p -48.14 -19.33 0.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -81.71 17.11 1.55 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.872 0.368 . . . . 0.0 110.657 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 28.4 t -131.32 124.45 55.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.396 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -91.65 120.06 32.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.557 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.72 133.44 50.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.799 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -124.19 122.59 38.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.129 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.8 mp -105.2 130.83 55.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.78 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -124.93 99.4 6.12 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.472 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -76.96 101.74 6.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.438 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -73.23 -38.01 66.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.479 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.573 HH12 HD21 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -141.76 138.82 32.57 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.906 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -104.22 121.23 55.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.535 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.401 ' CD1' ' CZ3' ' A' ' 98' ' ' TRP . 91.5 t80 -104.66 153.8 20.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.416 179.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -86.97 79.14 8.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.611 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -91.07 -61.06 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.535 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.506 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -159.01 160.22 29.12 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.383 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -69.97 19.51 0.19 Allowed 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.525 2.15 . . . . 0.0 112.047 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.506 ' H ' ' C ' ' A' ' 133' ' ' ASP . 2.3 mm? -91.95 -23.96 19.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.499 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -46.13 -32.17 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.541 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 50.3 tttt -66.13 -58.76 4.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.503 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -51.48 -28.8 14.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.43 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.5 -56.68 11.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.4 mt -51.12 -32.29 22.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.457 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -79.7 -43.23 23.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.611 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.496 ' SD ' ' O ' ' A' ' 103' ' ' SER . 0.5 OUTLIER -55.29 -52.13 64.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.63 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 4.8 mt -64.87 -47.65 77.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.549 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 14.7 ttp85 -48.77 -33.6 10.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.566 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -82.84 -23.26 33.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.581 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -76.58 -16.81 59.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.549 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 102.37 -8.61 55.34 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -69.8 156.41 39.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 110.456 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -96.44 135.58 38.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.506 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.22 116.68 29.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.623 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.6 m -153.13 162.03 41.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.558 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 10.0 mt -82.09 128.38 38.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.475 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.587 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 2.9 ttm -49.07 123.97 8.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 72.3 p -95.22 176.28 6.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.631 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -61.49 -48.39 81.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.654 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.1 -54.49 42.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.503 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -56.41 -36.61 69.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.496 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.587 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.4 OUTLIER -59.5 -44.72 93.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.563 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 34.7 tttm -58.89 -43.27 90.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.773 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.599 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.25 -56.09 8.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.562 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.599 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 0.0 OUTLIER -58.85 -23.72 61.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.553 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' TRP . . . . . 0.635 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 4.4 t-105 -68.86 -70.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.945 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . 0.635 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -63.7 -29.12 70.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.267 -179.372 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 97.6 m -66.63 -25.25 66.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.07 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -121.26 18.96 11.49 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.071 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.566 ' C ' ' H ' ' A' ' 168' ' ' HIS . 71.3 t -135.08 146.29 30.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.806 0.336 . . . . 0.0 111.324 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . 0.431 ' O ' ' OD1' ' A' ' 167' ' ' ASP . 4.1 p30 -75.16 37.52 0.12 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.726 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -36.17 -57.14 0.73 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.162 -179.606 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . 0.631 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 26.0 mt-30 40.75 17.8 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.083 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . 0.726 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 142.85 -0.79 1.43 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . 0.621 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 1.2 m -115.01 87.06 14.57 Favored Pre-proline 0 CA--C 1.531 0.231 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -80.37 160.22 22.8 Favored 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 122.29 1.993 . . . . 0.0 112.797 -178.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . 0.48 ' O ' ' NE2' ' A' ' 174' ' ' GLN . 37.0 t80 -53.51 141.34 25.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.6 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' A' ' 173' ' ' PHE . 0.4 OUTLIER -124.1 86.68 53.93 Favored Pre-proline 0 CA--C 1.535 0.391 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.422 -179.807 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -51.4 131.4 36.34 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.238 1.958 . . . . 0.0 112.083 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 14.7 p90 -101.25 157.97 16.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.59 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.82 91.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.585 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 165.58 -33.97 0.24 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.38 -47.55 69.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.756 0.312 . . . . 0.0 110.349 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -53.33 -61.99 1.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.51 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -50.6 -50.18 54.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.557 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -53.27 -48.02 68.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.542 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 6.4 p -48.0 -47.78 33.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.448 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -61.84 -32.67 73.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.524 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -69.13 -59.4 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.582 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.17 -55.06 32.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 96.4 p -44.61 -51.89 8.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.506 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -53.36 -44.45 65.87 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.856 -0.897 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -49.96 -57.65 7.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.739 0.304 . . . . 0.0 110.598 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.444 ' C ' ' N ' ' A' ' 192' ' ' ALA . 1.0 OUTLIER -61.88 -56.57 17.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.611 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -45.98 -18.82 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.615 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . 0.444 ' N ' ' C ' ' A' ' 190' ' ' LEU . . . -93.18 -55.5 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.809 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . 0.486 ' C ' ' H ' ' A' ' 195' ' ' GLN . 5.7 tt -59.08 -26.6 33.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.581 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 196' ' ' ASN . 2.3 tp -71.32 10.41 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.546 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . 0.486 ' H ' ' C ' ' A' ' 193' ' ' ILE . 2.1 mt-30 64.37 -69.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.544 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 196' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 194' ' ' LEU . 17.6 t30 60.67 131.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.56 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -83.63 141.16 31.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.592 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -101.58 -71.49 0.92 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 11.6 t30 . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.584 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 mmt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.61 80.55 4.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.519 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.93 149.38 25.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.589 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.3 t -155.12 61.01 2.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.659 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -74.58 167.46 27.06 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.683 2.255 . . . . 0.0 112.159 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 57.02 50.01 12.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 46.2 p -49.41 133.88 19.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.516 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -160.28 -171.78 26.64 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -48.11 167.92 0.1 OUTLIER 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.798 2.332 . . . . 0.0 112.07 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -153.99 145.39 23.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.627 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -146.5 77.07 1.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.435 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -100.48 173.98 6.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.276 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -80.24 167.13 20.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.267 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -71.48 142.31 86.4 Favored Pre-proline 0 CA--C 1.538 0.485 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.813 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -40.78 -44.71 4.78 Favored 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 122.23 1.953 . . . . 0.0 112.383 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -69.34 -45.57 69.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.301 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.456 ' C ' ' HG ' ' A' ' 20' ' ' SER . 2.2 mm -48.83 -37.78 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.939 -179.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -74.97 -61.03 2.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.884 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.43 ' H ' ' HG1' ' A' ' 19' ' ' THR . 0.2 OUTLIER -53.38 -24.31 11.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.638 -179.783 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.456 ' HG ' ' C ' ' A' ' 17' ' ' ILE . 83.3 p -73.69 -50.69 19.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.547 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.62 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 1.3 t-20 -65.17 -42.95 93.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.523 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -96.2 35.11 1.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.61 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.42 ' O ' ' O ' ' A' ' 24' ' ' ASN . 52.2 t30 -72.44 0.67 9.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.624 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.625 HD21 ' NH1' ' A' ' 128' ' ' ARG . 3.1 m120 58.72 118.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.627 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.9 99.87 0.51 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 pp -142.42 -174.95 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.673 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -161.27 43.55 0.4 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.66 153.56 51.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.728 0.299 . . . . 0.0 110.518 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.599 ' CD2' ' H ' ' A' ' 29' ' ' HIS . 0.0 OUTLIER -90.62 97.23 11.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.609 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.7 tptm -170.6 44.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.403 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.6 p -46.92 162.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.046 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.62 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.4 OUTLIER -125.14 143.34 50.98 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.661 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.401 ' C ' ' CD2' ' A' ' 33' ' ' LEU . 3.4 tt -135.58 114.66 12.25 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.502 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.95 120.02 40.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.322 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.466 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 42.1 p90 -108.69 138.23 45.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.949 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -132.05 129.23 39.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.18 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 18.2 t -96.74 130.11 45.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.953 0.406 . . . . 0.0 111.336 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.427 ' OE1' ' OG1' ' A' ' 93' ' ' THR . 2.3 mt-10 -130.52 125.1 33.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.011 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -95.66 138.4 33.38 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.645 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.47 135.5 57.45 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.326 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -148.9 98.72 2.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.533 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 55.36 42.38 30.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.488 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.87 0.13 67.98 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.4 m -109.54 127.26 54.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.811 0.339 . . . . 0.0 110.563 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.5 p -89.13 109.37 20.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.504 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 67.7 t -97.56 126.48 50.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.539 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -87.04 137.94 31.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.727 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 44.6 mtm -98.14 151.77 20.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.505 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -84.98 -50.34 7.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.704 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.458 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -89.09 66.96 7.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.399 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -172.16 -6.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.437 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -106.87 170.95 7.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.679 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.466 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . 179.45 -162.5 29.26 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -156.09 161.09 40.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.728 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mt -141.48 178.51 7.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.466 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.94 139.23 43.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.479 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 59' ' ' ALA . 13.4 t30 -63.21 159.29 18.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.654 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.404 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 25.1 mt-30 44.37 -96.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.613 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 65.12 134.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.563 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 71.4 tttt -68.8 133.92 48.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.556 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -174.06 95.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.522 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.42 10.35 3.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.476 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.468 ' CD1' ' N ' ' A' ' 63' ' ' LEU . 9.0 mp -64.2 -32.31 73.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.598 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 21.5 m -103.37 -20.2 14.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.617 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.88 43.56 1.02 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 36.6 t80 60.82 72.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.702 0.287 . . . . 0.0 110.638 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -112.92 119.67 38.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.56 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -93.54 121.92 6.8 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -134.19 144.22 48.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 110.52 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.628 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -65.59 144.48 56.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.49 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.73 -47.08 3.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.554 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.437 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 27.6 mp0 -58.16 -43.28 87.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.71 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 76' ' ' LEU . 8.5 mp -64.2 -59.87 3.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.963 0.411 . . . . 0.0 110.538 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -44.7 -28.47 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.458 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -80.74 -35.89 32.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.65 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' LEU . 1.1 mm? -59.5 -22.27 61.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.138 0.494 . . . . 0.0 109.731 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.45 -16.03 60.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.204 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.4 mt -94.12 -4.49 49.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.426 -179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.532 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -59.74 -43.42 95.16 Favored Pre-proline 0 C--N 1.326 -0.422 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.284 -179.156 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 39.7 Cg_exo -57.02 -22.65 47.99 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.124 1.883 . . . . 0.0 111.848 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.07 -8.93 59.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.551 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.425 ' CD1' ' N ' ' A' ' 82' ' ' LEU . 7.4 mp -103.32 -40.26 6.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.372 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 61.96 52.57 3.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.956 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 52.2 mt -70.44 101.82 2.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.22 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.516 ' O ' ' CE1' ' A' ' 119' ' ' HIS . 0.1 OUTLIER -87.57 161.26 45.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.603 -179.726 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -72.24 -20.69 24.32 Favored 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.658 2.239 . . . . 0.0 111.955 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.487 ' C ' HE21 ' A' ' 88' ' ' GLN . . . -40.94 -75.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.499 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.487 HE21 ' C ' ' A' ' 87' ' ' ALA . 20.1 mm-40 -99.41 175.12 5.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.318 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.473 ' C ' ' CD1' ' A' ' 90' ' ' TYR . 1.1 mt -100.92 155.15 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.907 0.384 . . . . 0.0 110.549 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 89' ' ' ILE . 71.0 m-85 -149.0 130.7 15.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.827 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.15 113.34 26.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.222 179.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.4 p -95.0 129.88 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.139 0.495 . . . . 0.0 110.146 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.427 ' OG1' ' OE1' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -100.84 119.61 38.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.966 -179.296 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -99.95 131.48 45.89 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.589 ' CZ ' ' SG ' ' A' ' 161' ' ' CYS . 52.8 m-85 -124.47 102.91 7.88 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.74 134.19 52.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.748 -178.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.495 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 0.3 OUTLIER -85.59 -22.91 27.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.751 178.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 20.3 m95 -113.22 148.41 35.54 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.3 OUTLIER -67.48 165.81 26.67 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.469 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' A' ' 99' ' ' SER . 75.6 Cg_exo -42.44 170.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.528 0 C-N-CA 122.476 2.117 . . . . 0.0 112.186 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -116.78 -48.43 2.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.116 179.761 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.585 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.3 OUTLIER -157.61 111.87 2.62 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 178.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.477 ' OG ' ' CB ' ' A' ' 142' ' ' MET . 10.0 t -39.65 -38.73 0.65 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.229 -179.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -84.9 -21.71 29.58 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.323 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.38 -63.0 1.59 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 91.8 m -78.57 -69.09 0.58 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.702 0.287 . . . . 0.0 111.045 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -56.36 -30.36 62.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.721 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.96 -60.24 7.52 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -52.69 -38.26 60.3 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.113 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.8 t -67.6 -46.15 83.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.206 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -51.09 -58.53 5.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.276 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.67 -51.37 21.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.472 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.529 ' O ' ' N ' ' A' ' 117' ' ' ASN . 5.1 t80 -50.19 -61.1 2.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.653 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.2 mt -50.71 -58.36 6.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.556 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -46.73 -22.78 0.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.463 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -110.31 -12.2 14.46 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 113' ' ' PHE . 32.0 m120 -139.59 44.77 1.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.329 . . . . 0.0 111.072 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.413 ' C ' ' H ' ' A' ' 120' ' ' VAL . 0.0 OUTLIER -55.62 -4.28 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.992 -179.833 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.527 ' H ' ' C ' ' A' ' 117' ' ' ASN . 5.9 p80 -77.15 14.43 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 0.0 110.797 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.44 ' CG1' ' CE1' ' A' ' 119' ' ' HIS . 21.8 m -140.54 155.26 22.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.56 148.41 25.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.429 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.37 112.29 16.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.42 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -116.21 118.52 33.02 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.465 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 25.4 mt -106.52 136.22 42.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.252 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -128.64 100.6 5.8 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.572 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -79.05 108.07 12.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.333 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -81.0 -47.21 13.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.625 ' NH1' HD21 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -130.69 153.39 49.02 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.854 -0.339 . . . . 0.0 110.668 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 10.9 mt -120.44 109.09 24.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.53 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.427 ' O ' ' O ' ' A' ' 131' ' ' ASP . 32.9 m-85 -152.49 26.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.576 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 130' ' ' TYR . 11.5 t70 -51.58 -173.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.613 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -93.92 -65.8 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.656 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.501 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.2 OUTLIER -98.5 160.2 28.64 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.517 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -70.56 27.73 0.2 Allowed 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 122.569 2.179 . . . . 0.0 112.282 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.501 ' H ' ' C ' ' A' ' 133' ' ' ASP . 0.7 OUTLIER -67.39 -14.82 63.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.576 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -54.46 -26.69 32.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.555 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -69.2 -62.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.584 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -50.92 -38.64 51.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.512 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.91 -39.71 92.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.571 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.18 -53.21 60.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.522 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -65.66 -50.68 64.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.609 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.477 ' CB ' ' OG ' ' A' ' 103' ' ' SER . 1.0 OUTLIER -50.1 -61.83 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.609 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 146' ' ' ALA . 3.5 tp -50.19 -55.71 14.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.534 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -45.84 -33.12 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.645 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.52 -21.38 32.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.565 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -78.09 -19.75 53.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.541 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 87.42 72.07 1.29 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -146.46 173.0 12.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 110.581 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . 0.648 HE22 ' HG ' ' A' ' 151' ' ' SER . 0.0 OUTLIER -102.27 124.19 47.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.548 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.463 ' O ' ' CG1' ' A' ' 150' ' ' VAL . 12.1 p -132.09 111.71 18.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.47 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.648 ' HG ' HE22 ' A' ' 149' ' ' GLN . 57.1 m -146.28 162.31 38.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.679 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 3.2 mm -84.31 129.93 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.491 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -41.22 133.26 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.647 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 21.0 p -106.46 174.91 5.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.552 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -65.34 -57.3 8.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.586 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.36 -38.25 18.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -69.32 -42.66 75.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -51.65 -40.4 59.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.762 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -67.93 -56.41 9.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.771 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.419 ' O ' ' OD1' ' A' ' 163' ' ' ASP . 0.1 OUTLIER -53.84 -46.46 71.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.671 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.589 ' SG ' ' CZ ' ' A' ' 95' ' ' PHE . 1.3 m -68.7 -44.59 73.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.795 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' TRP . . . . . 0.642 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 3.1 t-105 -43.85 -69.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.801 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . 0.642 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.2 OUTLIER -60.72 -54.6 43.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.26 -179.333 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 93.7 m -46.29 -22.38 0.24 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.479 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -121.51 19.63 11.22 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.562 ' C ' ' H ' ' A' ' 168' ' ' HIS . 49.4 t -141.6 152.31 19.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.045 0.45 . . . . 0.0 111.621 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . 0.403 ' N ' ' CG1' ' A' ' 166' ' ' VAL . 8.7 m-20 -74.52 36.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.617 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.588 ' CD2' ' H ' ' A' ' 169' ' ' GLN . 9.1 p-80 -38.6 -46.94 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.297 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . 0.588 ' H ' ' CD2' ' A' ' 168' ' ' HIS . 46.7 mt-30 38.25 24.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.327 -0.852 . . . . 0.0 110.612 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 168' ' ' HIS . . . 129.68 2.9 5.19 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 168' ' ' HIS . 0.1 OUTLIER -102.69 105.08 42.67 Favored Pre-proline 0 CA--C 1.537 0.443 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -78.97 153.24 25.2 Favored 'Trans proline' 0 N--CA 1.487 1.133 0 C-N-CA 121.684 1.589 . . . . 0.0 112.106 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -51.54 147.06 6.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.526 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -113.17 88.87 13.11 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.794 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -78.67 131.07 10.1 Favored 'Trans proline' 0 C--N 1.315 -1.226 0 C-N-CA 122.088 1.859 . . . . 0.0 112.03 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 8.0 p90 -78.78 -179.51 6.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.385 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -96.26 86.23 4.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 160.65 38.26 0.02 OUTLIER Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 2.9 mp -76.68 -50.12 14.45 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.905 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 27.3 p-10 -59.7 -23.28 63.01 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.158 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -73.96 -61.99 1.66 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.16 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' HIS . . . . . 0.614 ' ND1' ' N ' ' A' ' 183' ' ' SER . 1.5 p80 -69.92 -42.29 73.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.919 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' SER . . . . . 0.614 ' N ' ' ND1' ' A' ' 182' ' ' HIS . 59.8 p -57.48 -52.31 65.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.561 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . 0.474 ' N ' ' HG ' ' A' ' 183' ' ' SER . 3.4 tt0 -59.2 -35.77 74.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.562 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -53.37 -56.8 13.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 18.0 mt -67.15 -52.49 40.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.568 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.17 -33.18 18.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.523 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -67.32 -53.8 23.54 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.66 -52.21 11.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 110.584 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 192' ' ' ALA . 1.1 mp -61.72 -59.99 4.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.499 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 30.1 ttt85 -45.51 -16.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.639 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 190' ' ' LEU . . . -88.2 -43.43 11.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.759 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 4.3 tt -75.14 -26.57 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.669 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.5 mt -92.53 -36.05 13.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.703 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . 0.529 ' CD ' ' H ' ' A' ' 196' ' ' ASN . 0.0 OUTLIER -109.44 -147.29 0.41 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.062 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 196' ' ' ASN . . . . . 0.529 ' H ' ' CD ' ' A' ' 195' ' ' GLN . 1.1 p-10 -165.29 67.06 0.13 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.855 0.36 . . . . 0.0 110.557 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 50.02 -172.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.596 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -138.51 43.64 1.17 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 17.3 m120 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.61 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -81.32 12.97 3.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.554 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.64 96.5 8.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.546 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.566 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -96.01 -43.82 0.26 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 4' ' ' SER . 29.2 Cg_exo -58.86 152.63 56.2 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.463 2.109 . . . . 0.0 112.051 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -169.82 -11.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.516 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.632 ' HG ' ' NE2' ' A' ' 50' ' ' GLN . 0.4 OUTLIER 65.11 135.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.518 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.69 -59.71 2.31 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -47.08 132.3 18.02 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.725 2.283 . . . . 0.0 112.1 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.7 mtt-85 -138.75 145.19 39.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.569 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -153.0 64.15 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.463 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.517 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 6.0 mp -94.71 173.03 7.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.022 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 31.2 mtm -64.09 137.24 57.88 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.45 147.12 77.67 Favored Pre-proline 0 C--N 1.327 -0.386 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.44 -179.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.43 ' O ' ' OG1' ' A' ' 19' ' ' THR . 71.7 Cg_exo -39.94 -44.85 3.75 Favored 'Trans proline' 0 N--CA 1.489 1.23 0 C-N-CA 122.244 1.963 . . . . 0.0 112.096 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -72.44 -50.14 28.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.098 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.9 mm -48.69 -40.73 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.592 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 28.5 t80 -66.6 -57.07 7.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.425 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -51.71 -59.21 4.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.496 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t -54.1 -26.96 30.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.48 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.523 ' OD1' ' CD1' ' A' ' 32' ' ' TYR . 8.4 t30 -86.43 -9.66 55.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.54 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.521 ' O ' ' NH2' ' A' ' 128' ' ' ARG . 19.1 m-85 -133.43 18.74 3.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.507 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.527 ' H ' HD21 ' A' ' 23' ' ' ASN . 0.2 OUTLIER -66.3 119.25 11.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.504 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -58.8 157.1 10.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.57 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.4 92.93 0.02 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 pt -135.09 -170.23 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.753 0.311 . . . . 0.0 110.583 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.61 -23.2 0.02 OUTLIER Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -170.07 120.06 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.322 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.518 ' CG ' ' N ' ' A' ' 30' ' ' LYS . 16.7 t60 -157.61 -88.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.565 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.518 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 7.9 mtpt 179.81 121.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.44 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.5 p -58.0 120.92 9.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.777 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.523 ' CD1' ' OD1' ' A' ' 21' ' ' ASN . 1.0 OUTLIER -106.46 141.54 37.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.516 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 tt -136.26 123.16 21.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.69 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.18 110.35 20.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.056 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.625 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 11.0 p90 -101.39 142.59 32.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -129.17 160.72 32.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.892 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.5 t -132.36 127.26 56.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.373 . . . . 0.0 110.851 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -140.13 152.44 46.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.332 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.63 ' HE ' ' HH ' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -99.91 139.45 35.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.61 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.55 122.4 44.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.573 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.32 114.63 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.47 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.515 ' C ' ' H ' ' A' ' 44' ' ' THR . 3.2 t-20 58.25 39.66 25.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.493 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.73 -24.97 1.18 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.515 ' H ' ' C ' ' A' ' 42' ' ' ASN . 57.5 m -71.62 120.25 16.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 110.63 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.74 119.84 37.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.577 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.5 t -100.04 99.17 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.571 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.8 tttm -72.22 137.59 46.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.575 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -96.08 149.61 21.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.634 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.02 -50.24 4.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.49 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.632 ' NE2' ' HG ' ' A' ' 7' ' ' SER . 5.6 mt-30 -98.82 73.07 1.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.346 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -172.1 -1.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.451 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 30.7 ptt180 -103.05 170.94 7.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.41 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -175.01 172.94 45.94 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -141.93 136.9 30.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.812 0.339 . . . . 0.0 110.616 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mp -137.12 177.83 7.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.568 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.503 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 1.3 p80 -138.61 166.0 25.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.326 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -83.54 -168.47 2.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.625 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -118.06 139.48 51.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.554 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.95 -93.71 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.508 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.441 ' C ' ' ND2' ' A' ' 61' ' ' ASN . 22.3 tttm -101.66 115.16 29.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.5 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.441 ' ND2' ' C ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -162.83 113.06 1.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.535 -179.853 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.2 tp -84.91 -0.11 53.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.455 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.3 mp -48.15 -40.37 23.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.38 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 20.8 m -101.71 -9.43 20.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.39 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.5 39.38 2.24 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.6 t80 65.8 70.26 0.44 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.668 0.27 . . . . 0.0 110.768 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -117.46 150.75 38.39 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.531 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -102.24 79.6 0.36 Allowed Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.33 105.45 10.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.358 . . . . 0.0 110.515 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -61.23 157.65 15.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.598 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.89 -50.45 56.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.44 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -42.39 -46.28 4.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.652 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.94 -60.13 3.4 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.463 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -49.37 -24.77 2.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.08 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.625 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 2.2 t80 -84.42 -46.48 11.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.432 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -43.1 -36.92 1.81 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.432 -179.806 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.02 -16.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.101 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' A' ' 76' ' ' LEU . 2.4 mm? -66.97 -47.52 71.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.323 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.0 t -44.42 -58.73 4.7 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-O 119.316 -0.373 . . . . 0.0 111.936 -178.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -35.25 -39.78 0.25 Allowed 'Trans proline' 0 N--CA 1.489 1.232 0 C-N-CA 122.112 1.875 . . . . 0.0 112.502 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.7 t -76.34 -50.09 15.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 27.5 mt -65.33 -56.51 12.23 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.368 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 58.78 52.44 6.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.002 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.3 mt -50.37 145.73 6.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.289 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.57 160.14 27.2 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.605 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -70.41 -9.8 26.66 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.617 2.211 . . . . 0.0 112.024 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.61 -80.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.6 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.505 ' N ' HE21 ' A' ' 88' ' ' GLN . 0.0 OUTLIER -100.89 164.55 11.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.552 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -84.92 162.37 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.538 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.63 ' HH ' ' HE ' ' A' ' 39' ' ' ARG . 34.8 m-85 -139.64 167.26 22.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.493 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -138.55 110.6 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.524 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 3.0 t -95.12 123.58 47.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.234 179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.64 114.13 28.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 -179.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 23.1 m0 -100.4 133.28 45.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.243 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.59 ' CD1' ' SG ' ' A' ' 161' ' ' CYS . 48.4 m-85 -129.17 103.38 6.93 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.26 146.9 15.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.914 -178.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.477 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 22.2 p -96.89 -28.78 14.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.714 179.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -111.74 143.75 42.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.381 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.72 159.6 67.55 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.438 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.5 150.54 46.17 Favored 'Trans proline' 0 N--CA 1.494 1.554 0 C-N-CA 122.597 2.198 . . . . 0.0 112.406 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.647 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 1.8 p -83.58 -150.38 0.1 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.647 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.2 OUTLIER -34.16 104.92 0.03 OUTLIER 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.167 0.508 . . . . 0.0 110.138 179.381 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.5 p -37.54 -23.89 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.194 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.547 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.2 OUTLIER -80.51 -31.89 37.05 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.853 -179.014 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -71.25 -63.81 2.98 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.773 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.22 -69.39 0.58 Allowed 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.165 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.61 -43.11 12.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.795 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.88 -55.63 28.68 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -50.05 -42.23 49.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.807 0.337 . . . . 0.0 110.799 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 42.7 t -69.65 -52.78 28.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.801 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -41.66 -58.57 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.602 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.16 -52.99 59.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.58 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -46.14 -39.74 9.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.507 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.471 ' C ' ' N ' ' A' ' 116' ' ' GLU . 1.0 OUTLIER -72.15 -57.1 4.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.437 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -46.87 -15.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.624 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.471 ' N ' ' C ' ' A' ' 114' ' ' LEU . 0.3 OUTLIER -108.68 -45.73 3.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.963 -179.841 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.51 ' C ' ' H ' ' A' ' 119' ' ' HIS . 6.4 m120 -115.02 49.28 1.06 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.74 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.6 t -60.5 -0.22 0.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.82 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.51 ' H ' ' C ' ' A' ' 117' ' ' ASN . 8.9 p80 -79.62 13.62 1.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.846 0.355 . . . . 0.0 110.527 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 34.8 m -134.92 145.88 31.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.542 179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -91.51 148.32 22.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.32 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.76 112.4 12.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.501 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 65.9 mtp180 -115.07 117.74 31.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.199 179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 5.7 mt -105.77 127.71 60.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.044 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.491 ' CD2' ' CE1' ' A' ' 95' ' ' PHE . 75.2 m-85 -119.9 98.06 5.91 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.528 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -78.93 106.2 10.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.332 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -77.48 -40.84 41.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.556 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.521 ' NH2' ' O ' ' A' ' 22' ' ' PHE . 4.1 tpp180 -136.43 143.05 43.7 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.562 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.518 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 1.1 mt -102.95 118.95 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.609 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 13.3 m-85 -162.38 117.64 1.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 29.6 p30 -151.25 -163.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.437 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -92.28 -63.11 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.585 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.517 ' C ' ' H ' ' A' ' 135' ' ' LEU . 1.1 m-20 -108.5 157.74 35.75 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.318 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -69.87 29.32 0.18 Allowed 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.395 2.063 . . . . 0.0 112.152 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.517 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.9 mt -66.49 -14.68 62.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.778 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 136' ' ' TYR . 2.2 p90 -48.76 -30.05 5.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.6 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 14.2 ttpp -62.45 -58.3 8.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.486 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -49.36 -36.29 21.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.499 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.29 -51.76 67.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.549 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -50.76 -40.11 54.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.456 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -60.15 -60.47 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.66 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -53.25 -52.48 58.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.601 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -42.23 -58.13 2.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.394 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.7 ttm105 -52.33 -36.53 53.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.539 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.51 -11.77 61.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.569 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -93.08 -23.88 18.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.531 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 87.5 31.79 15.23 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -101.04 175.92 5.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.542 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -104.22 128.14 51.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.547 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 3.2 m -132.2 114.59 24.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.518 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 7.3 m -152.22 162.02 41.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.619 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 2.3 mt -84.48 130.03 36.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.507 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.586 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 8.6 ttt -45.88 123.57 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.535 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 12.6 p -102.26 176.28 5.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.69 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -59.16 -58.18 9.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.586 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.89 -57.56 2.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.5 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . 0.448 ' OE2' ' CE1' ' A' ' 125' ' ' PHE . 22.2 mt-10 -51.23 -56.61 12.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.713 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.586 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 1.1 m-85 -41.55 -43.5 2.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.69 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . 0.431 ' O ' ' OD2' ' A' ' 163' ' ' ASP . 9.1 ttpp -59.98 -46.23 90.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.582 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.618 ' CD2' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -68.88 -57.53 5.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.525 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.618 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 1.5 m -55.26 -23.96 25.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' TRP . . . . . 0.621 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 4.5 t-105 -70.41 -70.02 0.32 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.719 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . 0.621 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.5 OUTLIER -60.91 -14.41 22.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.262 -179.612 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 41.2 m -86.81 -28.3 23.02 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.368 -179.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -119.56 16.83 12.89 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.304 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.496 ' C ' ' H ' ' A' ' 168' ' ' HIS . 96.8 t -130.89 142.67 43.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.807 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 167' ' ' ASP . 7.6 p-10 -79.16 36.98 0.3 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.593 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -49.92 -10.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.579 -179.722 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . 0.514 ' H ' ' C ' ' A' ' 167' ' ' ASP . 7.9 mm-40 52.73 7.97 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.444 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . 0.593 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 121.35 32.1 1.09 Allowed Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . 0.566 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.0 OUTLIER -111.31 148.87 39.66 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 116.703 0.251 . . . . 0.0 110.365 179.714 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -77.35 172.44 15.96 Favored 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 122.363 2.042 . . . . 0.0 112.551 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -84.87 150.52 24.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.431 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -108.91 96.01 19.04 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.689 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -80.41 148.98 18.85 Favored 'Trans proline' 0 N--CA 1.488 1.197 0 C-N-CA 122.101 1.867 . . . . 0.0 112.204 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 16.1 p90 -82.08 155.1 25.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.56 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.43 101.69 4.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.6 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 143.11 -8.76 2.2 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 1.1 tt -41.77 -45.15 3.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.778 0.323 . . . . 0.0 110.542 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.58 -60.75 2.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.563 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 184' ' ' GLN . 67.1 mt-10 -56.76 -61.41 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.62 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -42.34 -49.45 5.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 9.5 t -56.33 -37.62 70.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.575 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 181' ' ' GLU . 0.0 OUTLIER -64.03 -32.19 73.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.61 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -73.97 -57.71 3.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.619 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' A' ' 186' ' ' LEU . 4.0 mm? -61.46 -52.22 65.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.393 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 30.7 t -51.27 -46.91 62.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.313 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -56.81 -35.34 67.57 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -59.78 -53.13 61.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.809 0.338 . . . . 0.0 110.396 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.0 tp -72.09 -22.93 61.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.652 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -76.35 -23.76 54.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.516 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -82.1 -48.04 11.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.611 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 2.5 tt -68.55 -28.04 38.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.683 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' A' ' 196' ' ' ASN . 1.9 tp -92.86 -14.59 27.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.608 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.37 -81.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.689 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 196' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 194' ' ' LEU . 0.4 OUTLIER -161.54 101.49 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.64 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -44.13 131.94 5.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.572 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -92.66 -67.03 1.1 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.515 -179.885 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.5 mtm . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 65.07 158.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.497 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.94 128.31 35.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.556 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.2 t -170.88 61.34 0.36 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.594 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -75.28 -170.12 0.75 Allowed 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.777 2.318 . . . . 0.0 112.285 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -152.06 175.8 12.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.467 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.12 12.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.762 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.94 -179.74 51.95 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -42.85 139.13 3.52 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.733 2.288 . . . . 0.0 112.068 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -134.63 -109.76 0.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.744 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.612 ' CD2' ' N ' ' A' ' 11' ' ' HIS . 3.0 m170 69.43 101.19 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.516 0.674 . . . . 0.0 110.896 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.617 ' CD2' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -113.34 175.06 5.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.708 -1.133 . . . . 0.0 109.835 -178.835 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.591 ' SD ' ' CE2' ' A' ' 54' ' ' PHE . 2.7 mpp? -60.48 167.52 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.37 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.44 153.15 50.57 Favored Pre-proline 0 CA--C 1.534 0.346 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.933 -179.101 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.423 ' O ' ' OG1' ' A' ' 19' ' ' THR . 72.1 Cg_exo -41.07 -56.01 1.87 Allowed 'Trans proline' 0 N--CA 1.49 1.322 0 C-N-CA 122.541 2.161 . . . . 0.0 112.507 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.512 ' CE1' ' OG ' ' A' ' 20' ' ' SER . 33.7 t60 -59.97 -51.62 68.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.975 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.2 mm -48.77 -37.49 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.63 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -74.87 -60.83 2.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.785 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.2 OUTLIER -50.31 -60.0 3.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.596 -179.906 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.512 ' OG ' ' CE1' ' A' ' 16' ' ' HIS . 6.7 m -51.9 -43.05 63.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.579 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.619 HD22 ' CB ' ' A' ' 32' ' ' TYR . 11.3 t30 -62.52 -39.91 95.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.685 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -100.08 23.58 9.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.615 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -56.77 101.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.553 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.86 150.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.546 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.63 99.54 0.01 OUTLIER Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.443 ' CD1' ' HE1' ' A' ' 98' ' ' TRP . 4.4 pt -136.55 -173.14 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.717 0.294 . . . . 0.0 110.62 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -151.27 -43.03 0.02 OUTLIER Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -172.05 127.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 110.437 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -163.55 -72.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.49 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.69 90.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.305 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.465 ' CG2' ' ND2' ' A' ' 57' ' ' ASN . 3.5 t -46.66 150.93 0.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.949 0.404 . . . . 0.0 111.303 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.619 ' CB ' HD22 ' A' ' 21' ' ' ASN . 0.2 OUTLIER -114.79 147.34 39.92 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.472 179.808 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.9 tp -135.4 107.57 7.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.161 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.37 115.71 31.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.348 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.518 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 34.9 p90 -106.36 137.04 45.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -123.92 129.42 50.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.22 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.418 ' CB ' ' ND1' ' A' ' 51' ' ' HIS . 11.5 t -100.07 126.01 53.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.965 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.11 154.21 45.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.279 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -121.45 142.0 50.46 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.528 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.516 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 3.8 mm? -78.89 143.71 35.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.549 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.85 101.1 2.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.486 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.7 t30 57.62 30.13 18.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.403 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.69 0.48 81.66 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.54 121.52 42.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.78 0.324 . . . . 0.0 110.623 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.426 ' O ' ' OG ' ' A' ' 45' ' ' SER . 1.2 p -89.3 110.69 21.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.55 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.4 p -101.83 134.07 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.586 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -94.75 140.71 29.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.622 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.5 mtm -103.14 143.44 32.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.45 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -84.38 -50.62 7.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.758 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.82 66.07 9.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.011 0.434 . . . . 0.0 110.234 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.418 ' ND1' ' CB ' ' A' ' 37' ' ' VAL . 17.8 t-80 -173.15 -8.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.405 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.7 ptt85 -100.93 170.79 8.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.502 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.413 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . -176.65 -179.65 47.18 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.591 ' CE2' ' SD ' ' A' ' 13' ' ' MET . 3.8 p90 -146.74 141.93 27.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.751 0.31 . . . . 0.0 110.55 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 mt -128.87 174.95 9.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.607 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.469 ' N ' ' ND1' ' A' ' 56' ' ' HIS . 1.4 p-80 -137.15 157.8 45.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.432 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.649 HD22 ' CD2' ' A' ' 70' ' ' HIS . 0.5 OUTLIER -51.51 172.39 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.773 -179.88 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 56.77 171.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.705 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.502 ' CB ' ' HE ' ' A' ' 74' ' ' ARG . . . 176.7 97.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.541 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 54.49 177.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.56 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 61.12 45.59 8.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.549 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.423 ' N ' ' CD1' ' A' ' 62' ' ' LEU . 9.5 mp -76.88 -40.86 46.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.619 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.1 mp -78.17 -40.71 36.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.566 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 9.0 t -63.03 -15.05 55.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.621 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.0 2.42 46.64 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.02 -26.68 68.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.807 0.337 . . . . 0.0 110.538 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 11.7 p90 -55.21 148.48 14.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.53 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 149.13 49.58 0.02 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -135.94 145.23 46.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.698 0.285 . . . . 0.0 110.59 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.649 ' CD2' HD22 ' A' ' 57' ' ' ASN . 0.5 OUTLIER -75.1 141.99 43.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.538 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.566 ' H ' ' ND2' ' A' ' 57' ' ' ASN . . . -52.0 -29.18 19.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.483 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -51.38 -50.83 58.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.646 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.38 -46.26 89.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.712 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.502 ' HE ' ' CB ' ' A' ' 59' ' ' ALA . 18.4 mmt-85 -59.09 -27.45 65.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.584 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.518 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 29.3 t80 -78.31 -47.47 17.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.532 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 tp -68.27 -19.69 64.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.722 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.13 -25.11 67.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.503 -179.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.435 ' C ' ' CD1' ' A' ' 78' ' ' LEU . 3.4 pp -114.25 3.41 15.11 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.618 0.247 . . . . 0.0 111.16 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.412 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.4 t -56.57 -47.94 98.05 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.357 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.412 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 38.0 Cg_endo -72.82 -17.04 26.0 Favored 'Trans proline' 0 N--CA 1.489 1.24 0 C-N-CA 121.434 1.423 . . . . 0.0 111.884 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.9 -14.72 60.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.402 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.425 ' O ' ' CB ' ' A' ' 83' ' ' GLN . 12.6 mt -78.83 -20.88 48.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.442 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.425 ' CB ' ' O ' ' A' ' 82' ' ' LEU . 3.7 tt0 77.55 36.04 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.0 mt -67.06 153.16 44.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.437 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.22 161.6 60.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.55 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -71.39 -12.93 30.24 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.533 2.155 . . . . 0.0 112.302 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.27 -79.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.518 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.56 ' N ' HE21 ' A' ' 88' ' ' GLN . 0.0 OUTLIER -94.0 158.99 15.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.305 179.725 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 3.4 mm -89.75 156.89 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.559 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -139.07 152.05 47.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.772 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -117.97 102.82 9.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.205 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 41.0 t -94.86 119.34 42.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.521 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.3 m -106.13 121.44 44.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.636 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 32.8 m0 -100.32 132.69 45.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.03 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -119.03 102.69 8.93 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.8 140.1 31.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.81 -178.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.609 ' HG ' ' H ' ' A' ' 32' ' ' TYR . 9.0 p -90.88 -27.4 18.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.926 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.443 ' HE1' ' CD1' ' A' ' 26' ' ' ILE . 8.5 m95 -111.59 153.54 26.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.35 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.84 162.41 74.24 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.258 179.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -68.83 162.99 39.09 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.548 2.165 . . . . 0.0 112.258 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 6.4 p -106.31 -106.98 0.31 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.41 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.45 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -74.09 107.03 6.04 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.366 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 108' ' ' GLY . 13.9 m -43.88 -25.05 0.17 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.885 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -84.64 -22.92 29.73 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.358 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.55 -62.74 1.6 Allowed Glycine 0 CA--C 1.528 0.877 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.9 m -78.36 -69.8 0.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.648 0.261 . . . . 0.0 111.47 -179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.32 -30.82 69.75 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.52 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -64.33 -45.79 92.45 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 179.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -66.66 -22.29 66.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.864 0.364 . . . . 0.0 110.106 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 59.8 t -83.19 -63.33 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.025 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.8 -29.96 30.52 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.39 -179.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -72.21 -58.73 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.981 0.42 . . . . 0.0 110.07 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -45.92 -24.0 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.969 179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.433 ' C ' ' N ' ' A' ' 116' ' ' GLU . 5.0 mp -76.77 -57.03 4.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.183 179.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -46.94 -19.99 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.068 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.433 ' N ' ' C ' ' A' ' 114' ' ' LEU . 2.8 mt-10 -104.72 -45.9 4.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.035 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.498 ' C ' ' H ' ' A' ' 119' ' ' HIS . 7.9 m120 -120.76 55.13 1.04 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.761 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.87 1.16 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.805 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.498 ' H ' ' C ' ' A' ' 117' ' ' ASN . 8.2 p80 -80.3 11.14 3.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.613 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.48 ' CG1' ' CE1' ' A' ' 119' ' ' HIS . 17.2 m -131.9 143.08 41.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.562 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -92.61 148.65 21.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.258 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.53 112.53 12.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.637 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 30.6 mtm180 -110.58 125.43 53.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.081 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 35.2 mm -105.29 117.43 50.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.147 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.519 ' CD1' ' OE1' ' A' ' 157' ' ' GLU . 70.5 m-85 -116.78 98.02 6.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.122 179.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -83.18 107.48 15.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.492 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -76.29 -39.37 54.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.405 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -139.89 146.77 39.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.351 179.759 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.518 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 0.9 OUTLIER -104.03 130.44 54.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.907 0.384 . . . . 0.0 110.695 -179.723 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 4.6 m-85 -172.13 122.09 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.461 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -149.96 -173.93 4.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.561 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -106.53 -19.55 13.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.587 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.11 162.34 48.53 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.464 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.502 ' O ' ' N ' ' A' ' 136' ' ' TYR . 41.0 Cg_endo -70.02 -7.12 20.36 Favored 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.625 2.217 . . . . 0.0 112.204 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.2 mt -42.97 -19.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.647 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.525 ' CD1' ' N ' ' A' ' 137' ' ' LYS . 0.0 OUTLIER -54.16 -38.97 66.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.615 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.525 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 30.9 tttp -58.85 -57.73 11.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.436 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -48.34 -32.63 7.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.366 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.52 -52.09 64.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.391 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.5 mp -51.77 -36.7 48.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.403 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.491 ' OE1' ' NH1' ' A' ' 144' ' ' ARG . 49.1 mm-40 -78.59 -36.14 44.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.535 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.482 ' SD ' ' O ' ' A' ' 103' ' ' SER . 0.7 OUTLIER -70.68 -22.69 62.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.573 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 9.2 mt -81.3 -60.81 2.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.767 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.491 ' NH1' ' OE1' ' A' ' 141' ' ' GLN . 0.7 OUTLIER -56.06 -28.06 55.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.693 -179.879 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.78 -37.18 81.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.612 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.76 -19.43 52.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 104.04 13.12 27.96 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -78.49 155.15 29.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.759 0.314 . . . . 0.0 110.611 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -87.45 131.08 34.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.538 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.435 ' C ' ' HG ' ' A' ' 151' ' ' SER . 21.8 t -131.39 116.61 32.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.605 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.435 ' HG ' ' C ' ' A' ' 150' ' ' VAL . 0.8 OUTLIER -153.38 159.75 42.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.57 179.896 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.9 tp -90.38 132.57 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.475 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.542 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 6.4 ttt -49.1 121.24 4.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.52 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 81.3 p -99.98 172.65 7.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -58.21 -43.1 87.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.639 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -47.23 81.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.481 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . 0.519 ' OE1' ' CD1' ' A' ' 125' ' ' PHE . 35.8 mt-10 -63.15 -31.19 72.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.727 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.542 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 1.4 m-85 -65.58 -47.32 76.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.543 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -55.59 -49.77 71.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.575 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.593 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -68.45 -57.39 5.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.611 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.593 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 12.3 t -53.76 -23.69 12.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' TRP . . . . . 0.622 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.2 t-105 -72.9 -69.16 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.042 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . 0.622 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -63.68 -14.28 50.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 -179.466 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 96.9 m -85.68 -24.11 27.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.311 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -121.05 10.83 10.84 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.264 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.582 ' C ' ' H ' ' A' ' 168' ' ' HIS . 89.9 t -129.32 132.61 66.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.98 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -69.63 37.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.946 0.403 . . . . 0.0 110.42 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.582 ' H ' ' C ' ' A' ' 166' ' ' VAL . 5.7 p-80 -44.24 -45.63 8.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.109 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . 0.481 ' N ' ' CG ' ' A' ' 168' ' ' HIS . 97.1 mt-30 40.51 31.7 0.12 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 132.71 14.78 1.46 Allowed Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . 0.433 ' SG ' ' O ' ' A' ' 168' ' ' HIS . 4.6 m -123.78 80.9 55.69 Favored Pre-proline 0 CA--C 1.53 0.175 0 CA-C-O 120.739 0.304 . . . . 0.0 110.46 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -51.32 162.63 1.27 Allowed 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.551 2.167 . . . . 0.0 112.25 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -57.4 150.33 18.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.597 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -113.62 85.08 8.76 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.647 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -78.27 131.22 10.59 Favored 'Trans proline' 0 N--CA 1.488 1.202 0 C-N-CA 122.084 1.856 . . . . 0.0 112.091 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' TRP . . . . . 0.545 ' NE1' ' CD1' ' A' ' 179' ' ' LEU . 15.1 p90 -98.64 159.0 15.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.529 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.68 109.5 2.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.546 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 145.03 -18.18 1.95 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . 0.545 ' CD1' ' NE1' ' A' ' 176' ' ' TRP . 1.8 mp -52.27 -38.12 57.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.783 0.325 . . . . 0.0 110.535 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.09 -46.65 80.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.634 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -64.65 -45.95 84.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.592 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -61.09 -61.04 2.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.608 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 60.0 p -44.81 -37.56 3.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.652 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -61.23 -59.51 5.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.549 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -45.82 -53.11 10.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.549 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.01 -58.89 6.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.516 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 1.6 m -44.57 -44.02 8.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.58 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -55.68 -49.81 63.79 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -50.52 -49.92 54.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.754 0.311 . . . . 0.0 110.541 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.23 -46.66 89.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.583 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 2.6 ttm105 -61.12 -33.01 72.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.66 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -66.84 -37.18 83.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.596 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . 0.501 ' CD1' ' HH ' ' A' ' 136' ' ' TYR . 3.5 mm -66.57 -61.32 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.596 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.464 ' C ' ' H ' ' A' ' 196' ' ' ASN . 8.0 mp -56.81 -13.32 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.635 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.98 -3.67 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.644 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 196' ' ' ASN . . . . . 0.464 ' H ' ' C ' ' A' ' 194' ' ' LEU . 0.1 OUTLIER 73.23 -53.63 0.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.65 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -135.11 115.73 13.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.53 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 169.71 -50.7 0.21 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 199' ' ' ASN . . . . . 0.474 ' O ' ' NH2' ' A' ' 144' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.957 -1.02 . . . . 0.0 110.624 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mtt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 54.22 40.38 31.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.589 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.99 -49.15 25.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.593 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.4 t -177.07 68.43 0.22 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.576 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -49.05 115.9 1.94 Allowed 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.791 2.327 . . . . 0.0 112.167 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -170.51 89.35 0.15 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.629 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.1 m -103.35 -53.16 2.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.576 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 104.1 71.43 0.85 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -50.78 109.13 0.27 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.777 2.318 . . . . 0.0 112.199 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.53 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -135.61 90.04 2.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.391 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.509 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 12.5 t-160 48.4 91.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.579 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.583 ' CD2' ' N ' ' A' ' 12' ' ' LEU . 1.0 OUTLIER -108.76 173.47 6.3 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.136 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -73.92 164.48 26.58 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -76.56 143.96 72.94 Favored Pre-proline 0 CA--C 1.534 0.365 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.418 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -39.96 -55.51 1.72 Allowed 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.205 1.937 . . . . 0.0 112.237 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -49.42 77.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.041 -179.629 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 mm -48.84 -56.49 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.659 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.408 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 32.3 t80 -49.59 -60.13 3.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.706 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.52 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -57.06 -27.09 61.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.795 -179.83 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.58 -61.49 2.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.597 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.614 ' ND2' ' CD2' ' A' ' 22' ' ' PHE . 3.3 p-10 -70.75 -23.49 62.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.61 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.614 ' CD2' ' ND2' ' A' ' 21' ' ' ASN . 18.3 m-85 -100.44 13.19 35.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.541 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 19' ' ' THR . 44.7 t-20 -61.49 101.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.626 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -43.25 115.47 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.603 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.63 52.75 0.79 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 pp -97.35 -175.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.707 0.289 . . . . 0.0 110.496 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.401 ' H ' ' NE ' ' A' ' 28' ' ' ARG . . . 167.43 53.76 0.03 OUTLIER Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.688 ' H ' ' HE ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -158.33 140.41 14.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.859 0.362 . . . . 0.0 110.644 179.758 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -49.93 98.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.761 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -178.61 22.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.077 0.465 . . . . 0.0 110.406 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -46.63 162.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.784 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -125.93 149.3 48.84 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.686 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.457 ' CD1' ' C ' ' A' ' 33' ' ' LEU . 2.6 tm? -140.34 122.97 16.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.122 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.35 121.08 40.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.828 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.547 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 17.5 p90 -112.92 134.52 54.39 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.038 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -122.15 158.14 30.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.093 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -128.7 121.41 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.652 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.461 ' OE2' ' N ' ' A' ' 38' ' ' GLU . 1.5 mp0 -131.34 127.93 38.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.729 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.36 132.32 35.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.404 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 mt -98.52 119.94 38.09 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.548 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.63 110.48 9.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.457 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.522 ' N ' ' ND2' ' A' ' 42' ' ' ASN . 0.5 OUTLIER 61.23 37.51 17.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.468 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.6 -1.07 68.02 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.15 102.3 14.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 110.523 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.429 ' O ' ' OG ' ' A' ' 45' ' ' SER . 11.9 p -83.13 103.37 12.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.557 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.1 m -96.68 119.18 44.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.516 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -76.83 138.13 39.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.488 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.9 mmt -79.46 158.65 27.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.667 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -93.55 -50.27 5.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.564 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -117.17 78.23 1.2 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.487 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.497 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 52.9 t-80 -169.93 30.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.687 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.53 ' NH2' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -131.57 170.77 14.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.318 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -169.32 -178.56 40.68 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 20.1 p90 -156.39 140.41 16.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.69 0.281 . . . . 0.0 110.402 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 mp -135.52 178.17 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.565 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.54 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.1 OUTLIER -127.15 156.18 42.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.467 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' A' ' 56' ' ' HIS . 1.1 t30 -47.61 176.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.531 HE22 ' CZ ' ' A' ' 74' ' ' ARG . 3.1 mt-30 -141.32 3.26 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.613 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.97 99.77 0.52 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.524 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.2 ttpp -136.62 -74.42 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.64 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.538 ' C ' ' H ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -178.75 151.08 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.471 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.529 ' CD1' ' N ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -46.6 -10.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.453 -179.609 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.538 ' H ' ' C ' ' A' ' 61' ' ' ASN . 1.3 tp -59.71 -36.31 76.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.864 0.364 . . . . 0.0 110.431 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 6.3 p -92.66 14.36 17.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.58 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.2 8.35 61.76 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -136.94 109.62 7.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.34 . . . . 0.0 110.501 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.417 ' O ' ' O ' ' A' ' 68' ' ' GLY . 31.4 t80 -100.02 123.63 44.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.678 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 67' ' ' TYR . . . 44.08 96.75 0.01 OUTLIER Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -138.25 145.51 41.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 110.529 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -92.74 139.12 30.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.645 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.22 -34.56 64.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.234 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -60.04 -49.09 79.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.479 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.9 mp -49.59 -50.43 42.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.591 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.531 ' CZ ' HE22 ' A' ' 58' ' ' GLN . 2.0 mmt180 -53.25 -43.56 67.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.512 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.547 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 10.3 t80 -65.49 -49.53 68.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.624 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.2 tp -64.05 -19.99 65.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.767 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.95 -32.47 59.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.025 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.415 ' C ' ' CD1' ' A' ' 78' ' ' LEU . 3.9 pp -101.44 8.04 42.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.759 0.314 . . . . 0.0 110.811 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.575 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -63.32 -41.64 69.59 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.008 -179.845 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 39.6 Cg_exo -57.66 -17.44 28.77 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.087 1.858 . . . . 0.0 111.932 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.42 -9.08 58.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.619 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.9 mt -89.75 -2.86 58.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.54 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 41.5 45.02 2.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.725 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.3 mt -41.46 155.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.628 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.455 ' C ' ' H ' ' A' ' 87' ' ' ALA . 2.4 m-20 -117.17 84.96 17.91 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.457 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -51.3 -9.38 0.29 Allowed 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.464 2.11 . . . . 0.0 112.189 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.455 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -49.21 -35.46 17.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.375 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -125.04 -167.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.217 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -104.73 155.1 6.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.167 0.508 . . . . 0.0 110.5 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -140.47 179.32 6.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.79 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -143.98 109.65 5.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.498 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -92.44 106.07 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.011 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.36 115.69 26.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.655 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 13.7 m0 -100.19 132.19 45.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.21 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -124.91 102.65 7.64 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -108.05 131.25 58.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.651 -178.33 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.481 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 7.0 p -81.87 -26.04 34.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.767 178.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -111.13 153.51 25.62 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.062 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.09 129.87 77.04 Favored Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.323 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -42.35 153.84 0.13 Allowed 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.899 1.733 . . . . 0.0 112.426 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.646 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 2.7 p -96.66 -147.89 0.3 Allowed 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.646 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.2 OUTLIER -33.38 106.01 0.04 OUTLIER 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.263 0.554 . . . . 0.0 110.215 179.545 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.455 ' OG ' ' CB ' ' A' ' 139' ' ' ALA . 47.9 m -37.48 -23.86 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.237 -179.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.545 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.1 OUTLIER -82.64 -30.94 29.04 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -178.826 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -71.9 -63.77 2.9 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 120.532 -0.842 . . . . 0.0 111.786 -179.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.31 -69.25 0.59 Allowed 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.751 -0.379 . . . . 0.0 111.071 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -45.88 -41.57 11.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.816 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.19 -60.01 9.05 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -50.91 -39.56 54.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.943 0.402 . . . . 0.0 110.25 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 38.7 t -66.71 -48.19 80.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.36 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 55.1 ttt85 -49.71 -52.63 29.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.359 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.08 -57.84 7.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.486 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -53.17 -34.82 58.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.63 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -69.83 -58.59 3.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.457 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -54.22 -14.18 1.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.598 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -100.25 -50.29 4.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.52 ' C ' ' H ' ' A' ' 119' ' ' HIS . 85.7 m-20 -111.51 43.47 1.51 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.501 ' C ' ' H ' ' A' ' 120' ' ' VAL . 0.0 OUTLIER -49.86 -10.45 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.744 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.529 ' ND1' ' O ' ' A' ' 119' ' ' HIS . 12.0 p80 -76.11 19.66 0.22 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.902 0.382 . . . . 0.0 110.381 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.501 ' H ' ' C ' ' A' ' 118' ' ' THR . 4.9 m -135.75 144.72 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.464 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -91.59 123.32 34.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.447 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.93 115.04 29.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.571 -179.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 12.1 mtp180 -117.79 118.36 31.84 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.293 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 18.6 mt -106.2 131.19 56.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.002 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.522 ' CE1' ' OE2' ' A' ' 157' ' ' GLU . 81.5 m-85 -127.03 104.78 8.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.611 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -84.17 107.72 16.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.372 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -77.56 -44.75 27.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.464 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.481 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -132.36 150.09 52.22 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.505 179.79 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.522 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 5.6 mt -112.29 118.73 58.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.694 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.522 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 8.7 m-85 -155.02 117.23 4.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.632 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.427 ' OD2' ' O ' ' A' ' 130' ' ' TYR . 0.3 OUTLIER -178.82 154.83 0.75 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.376 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -97.63 10.18 40.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.568 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.517 ' C ' ' H ' ' A' ' 135' ' ' LEU . 30.6 m-20 -122.79 80.04 49.18 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.552 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.502 ' C ' ' H ' ' A' ' 136' ' ' TYR . 51.8 Cg_exo -49.3 -6.66 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.562 2.175 . . . . 0.0 112.433 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.517 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.9 mt -47.76 -13.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.468 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.502 ' H ' ' C ' ' A' ' 134' ' ' PRO . 0.1 OUTLIER -42.37 -26.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.613 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 135' ' ' LEU . 8.9 tttt -62.05 -62.21 1.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.469 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -53.49 -27.73 26.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.32 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.455 ' CB ' ' OG ' ' A' ' 103' ' ' SER . . . -69.66 -42.79 73.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.419 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.82 -37.09 75.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.316 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -80.03 -56.69 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.557 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.9 ttp -54.36 -29.59 48.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.664 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 53.6 tp -81.9 -42.19 19.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.337 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.4 -30.74 41.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.5 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -76.64 2.72 13.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.572 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -99.57 -22.39 15.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 104.83 -1.18 41.71 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -83.1 134.08 35.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.71 0.291 . . . . 0.0 110.627 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -83.98 140.76 31.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.591 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 59.0 t -131.62 112.71 21.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.558 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.4 t -146.11 162.08 38.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.631 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . 0.414 ' N ' ' CD1' ' A' ' 152' ' ' ILE . 1.6 mp -79.78 133.81 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.498 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.583 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 6.4 ttm -50.36 102.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.52 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 26.2 p -73.72 160.68 31.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.538 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.497 ' CD1' ' O ' ' A' ' 155' ' ' TYR . 1.4 t80 -51.33 -36.93 45.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.578 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.22 -56.21 16.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.503 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . 0.522 ' OE2' ' CE1' ' A' ' 125' ' ' PHE . 2.1 mm-40 -57.15 -26.59 60.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.689 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.583 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 0.5 OUTLIER -64.58 -54.16 36.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.504 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -54.93 -42.62 72.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.687 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.579 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -66.7 -56.61 9.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.687 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.579 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 3.1 t -57.32 -23.72 50.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.64 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' TRP . . . . . 0.619 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.1 t-105 -73.26 -69.23 0.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.832 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . 0.619 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 2.8 t70 -63.04 -14.24 45.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.419 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 60.6 m -84.86 -26.72 27.2 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.167 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -121.74 18.84 11.1 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.706 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.552 ' C ' ' H ' ' A' ' 168' ' ' HIS . 73.0 t -133.77 154.1 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 121.168 0.509 . . . . 0.0 111.549 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . 0.421 ' N ' ' CG1' ' A' ' 166' ' ' VAL . 0.4 OUTLIER -75.25 30.97 0.1 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.727 179.594 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.709 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -38.82 -53.71 1.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.13 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . 0.615 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 4.5 mm-40 42.53 14.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.668 179.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . 0.709 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 141.7 8.4 0.69 Allowed Glycine 0 CA--C 1.529 0.944 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.772 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . 0.622 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 1.7 m -117.5 84.29 18.47 Favored Pre-proline 0 CA--C 1.532 0.256 0 CA-C-N 116.713 0.256 . . . . 0.0 110.321 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -52.0 165.57 0.83 Allowed 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.486 2.124 . . . . 0.0 112.377 -179.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -65.12 141.49 58.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.309 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -115.57 85.1 13.17 Favored Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.966 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -50.11 154.88 5.02 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.189 1.926 . . . . 0.0 111.924 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' TRP . . . . . 0.42 ' O ' ' N ' ' A' ' 178' ' ' GLY . 1.0 OUTLIER -102.07 131.51 48.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.637 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -43.64 96.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.501 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 176' ' ' TRP . . . 140.68 -18.58 2.79 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -42.31 -50.09 5.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.757 0.313 . . . . 0.0 110.528 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 180' ' ' ASP . 3.1 m-20 -47.93 -52.24 20.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.534 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.35 -57.9 10.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.525 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -47.29 -38.92 13.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.408 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' SER . . . . . 0.428 ' O ' ' OG ' ' A' ' 187' ' ' SER . 0.4 OUTLIER -61.92 -43.93 97.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.53 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -61.22 -35.2 76.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.616 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -60.65 -65.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.587 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 27.2 mt -64.35 -59.65 4.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.594 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 187' ' ' SER . . . . . 0.605 ' HG ' ' N ' ' A' ' 188' ' ' GLY . 55.9 p -45.85 -40.51 9.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.375 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . 0.605 ' N ' ' HG ' ' A' ' 187' ' ' SER . . . -67.04 -35.07 88.63 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -48.74 77.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.749 0.309 . . . . 0.0 110.414 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -46.28 80.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.546 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . 0.593 HH21 ' HG ' ' A' ' 187' ' ' SER . 61.5 mtm180 -60.56 -16.3 36.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.545 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -96.36 -52.91 3.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.6 tp -54.72 -27.49 18.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.699 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.407 ' O ' ' O ' ' A' ' 195' ' ' GLN . 1.4 mt -96.8 7.26 47.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.62 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . 0.407 ' O ' ' O ' ' A' ' 194' ' ' LEU . 9.8 mp0 54.05 105.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.54 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -72.21 166.74 21.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.571 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -149.36 103.4 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.502 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 74.63 21.3 78.88 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.554 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 mmt . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -73.94 116.09 14.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.603 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 177.31 81.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.558 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.7 m -162.68 61.08 1.09 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.636 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -74.4 -48.77 0.19 Allowed 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.804 2.336 . . . . 0.0 112.149 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.47 124.79 25.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.628 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.637 ' HG ' ' H ' ' A' ' 8' ' ' GLY . 88.2 p -96.59 -55.57 2.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.506 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.637 ' H ' ' HG ' ' A' ' 7' ' ' SER . . . 48.61 71.23 0.61 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -48.9 103.53 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.716 2.278 . . . . 0.0 112.026 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -73.1 -169.26 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.587 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 -132.95 93.93 3.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.456 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.59 ' CD2' ' N ' ' A' ' 12' ' ' LEU . 1.0 OUTLIER -107.4 173.33 6.37 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.135 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 64.6 mtm -74.9 162.35 28.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.855 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -75.22 142.93 76.03 Favored Pre-proline 0 CA--C 1.536 0.422 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.391 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.431 ' O ' ' OG1' ' A' ' 19' ' ' THR . 71.1 Cg_exo -40.69 -55.46 1.97 Allowed 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 122.169 1.913 . . . . 0.0 112.205 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -59.98 -51.85 67.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.123 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.421 ' O ' ' OD1' ' A' ' 21' ' ' ASN . 1.8 mm -48.66 -38.47 9.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.654 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -73.48 -60.9 2.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.628 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -46.22 -44.77 16.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.52 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -61.4 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.563 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.617 ' ND2' ' CE1' ' A' ' 32' ' ' TYR . 19.3 m120 -73.99 -9.61 58.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.598 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -132.6 27.56 4.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.573 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 19' ' ' THR . 0.8 OUTLIER -86.56 97.01 10.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.493 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 25' ' ' GLY . 23.7 m-20 46.73 -118.0 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.575 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 24' ' ' ASN . . . -57.48 -154.5 0.01 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.61 -174.91 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.746 0.308 . . . . 0.0 110.595 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -105.71 -117.06 4.26 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.517 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 1.3 tpm_? -154.45 137.46 15.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.747 0.308 . . . . 0.0 110.545 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 28' ' ' ARG . 56.7 p-80 40.7 59.29 2.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.597 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -156.26 21.21 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.485 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.2 p -46.79 138.02 6.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.962 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.617 ' CE1' ' ND2' ' A' ' 21' ' ' ASN . 1.4 m-85 -110.2 145.85 36.57 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.656 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.43 ' C ' ' CD2' ' A' ' 33' ' ' LEU . 6.2 tt -139.85 120.06 13.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.12 107.24 16.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.402 179.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.429 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 30.4 p90 -97.18 135.13 39.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.779 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -122.99 146.42 47.64 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.382 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.484 ' CG2' ' ND1' ' A' ' 51' ' ' HIS . 34.6 t -121.78 129.72 75.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.761 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -143.81 137.1 27.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.461 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.1 ptt85 -89.71 140.64 29.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.602 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.35 126.44 52.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.459 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.62 105.22 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.623 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.487 ' C ' ' H ' ' A' ' 44' ' ' THR . 0.3 OUTLIER 54.39 51.65 13.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.555 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.07 -18.97 1.35 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.487 ' H ' ' C ' ' A' ' 42' ' ' ASN . 1.7 m -75.08 109.05 8.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.803 0.335 . . . . 0.0 110.573 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.5 m -99.3 110.69 23.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.602 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.5 t -110.19 110.67 33.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.521 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.468 ' CB ' ' HZ2' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -75.03 148.91 39.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.411 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 28.0 mtm -104.03 141.28 36.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.499 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -81.25 -50.36 9.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.662 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -88.68 66.99 8.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.325 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.484 ' ND1' ' CG2' ' A' ' 37' ' ' VAL . 7.8 t-80 -170.46 -2.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.588 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -100.67 156.44 17.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.644 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.429 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . -171.53 175.03 45.13 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 14.8 p90 -147.29 141.98 26.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.662 0.267 . . . . 0.0 110.591 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 mt -135.62 175.28 9.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.581 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.6 p80 -137.76 152.59 49.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.462 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.543 ' N ' HD21 ' A' ' 57' ' ' ASN . 0.1 OUTLIER -63.41 -178.51 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.719 -179.877 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' ' 57' ' ' ASN . 2.7 mm-40 49.84 177.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.71 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -162.12 -141.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.476 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -120.47 32.45 6.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.583 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -104.96 79.88 1.56 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.449 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 mt -85.02 6.58 24.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.666 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.433 ' N ' ' CD1' ' A' ' 63' ' ' LEU . 10.4 mp -69.43 -19.97 63.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.508 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.2 m -107.96 -9.8 15.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.578 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.499 ' O ' ' CG ' ' A' ' 66' ' ' PHE . . . 103.74 50.03 1.05 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.499 ' CG ' ' O ' ' A' ' 65' ' ' GLY . 28.4 p90 40.29 29.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 0.0 110.633 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.496 ' CG ' ' O ' ' A' ' 67' ' ' TYR . 12.2 p90 -40.16 117.78 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.693 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.73 124.93 35.35 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -137.76 106.6 5.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.347 . . . . 0.0 110.514 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.485 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -53.47 138.33 33.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.654 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.62 -20.92 58.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.679 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -42.46 -49.55 5.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.1 tp -76.24 -39.55 54.21 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -51.31 -30.2 17.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.495 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -84.19 -47.19 11.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.602 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 24.1 tp -63.47 -20.26 65.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.476 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -73.17 -34.36 65.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.42 ' C ' ' CD1' ' A' ' 78' ' ' LEU . 3.8 pp -100.13 8.04 44.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.817 0.341 . . . . 0.0 110.877 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.587 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -63.59 -41.38 65.63 Favored Pre-proline 0 CA--C 1.532 0.286 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.875 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 23.1 Cg_exo -60.99 -17.61 52.68 Favored 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 122.239 1.959 . . . . 0.0 112.092 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.9 -12.07 61.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.803 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.8 mt -87.37 5.9 36.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.675 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 41.92 45.73 3.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.515 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.2 mt -40.01 156.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.669 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 0.6 OUTLIER -115.65 85.05 13.3 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.58 -179.922 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -48.78 -13.18 0.25 Allowed 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.297 1.998 . . . . 0.0 112.233 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.48 ' C ' HE21 ' A' ' 88' ' ' GLN . . . -42.36 -74.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.443 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.48 HE21 ' C ' ' A' ' 87' ' ' ALA . 14.2 mm-40 -90.64 -170.51 2.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.423 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -91.22 158.95 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.454 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -137.17 173.84 11.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.631 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -149.55 110.34 4.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.703 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.8 t -97.23 113.99 33.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.31 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -98.13 118.98 35.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -101.45 131.99 47.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.533 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -126.27 103.05 7.46 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.77 150.0 15.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.971 -177.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 1.0 OUTLIER -97.01 -21.23 17.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.702 178.718 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 18.8 m95 -111.98 153.3 27.0 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.405 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -78.86 160.52 71.46 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.53 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' A' ' 99' ' ' SER . 59.4 Cg_exo -42.16 171.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.497 2.131 . . . . 0.0 112.289 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.44 -75.1 0.5 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.218 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -109.48 98.42 7.81 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.242 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.49 ' O ' ' N ' ' A' ' 108' ' ' GLY . 12.6 t -44.72 -28.48 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.945 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -85.28 -21.79 28.85 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.531 -179.487 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -84.82 -62.35 1.69 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -78.85 -66.85 0.81 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.728 0.299 . . . . 0.0 111.065 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.49 -33.38 72.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.03 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -66.65 -58.17 8.87 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -57.83 -35.47 70.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.885 0.374 . . . . 0.0 110.357 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.9 t -74.73 -34.0 32.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.428 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 67.7 ttt-85 -60.86 -59.5 5.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.081 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.78 -42.22 75.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.131 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -54.13 -39.83 66.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.131 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.422 ' C ' ' N ' ' A' ' 116' ' ' GLU . 1.4 mp -76.09 -53.9 7.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.336 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -46.64 -20.77 0.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.308 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 114' ' ' LEU . 50.8 mt-10 -110.44 -18.88 13.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.088 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.512 ' C ' ' H ' ' A' ' 119' ' ' HIS . 3.2 m120 -134.41 46.97 2.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.793 0.33 . . . . 0.0 111.059 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.9 t -59.32 -1.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.75 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.527 ' ND1' ' O ' ' A' ' 119' ' ' HIS . 2.4 p80 -76.33 8.66 3.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.504 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 8.1 p -131.25 142.14 44.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.653 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.57 136.31 33.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.284 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.8 112.49 21.2 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.806 -179.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -112.41 117.76 33.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.968 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 6.1 mt -105.59 128.48 59.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.202 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -126.42 118.23 24.56 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.769 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -101.06 113.57 26.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.279 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -81.65 -42.95 19.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.819 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -132.05 143.85 50.34 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.434 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.1 mt -103.78 124.44 58.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.57 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -167.58 119.51 0.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.347 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -149.77 -175.16 4.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.515 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -99.83 -57.43 2.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.516 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.57 162.72 19.36 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.387 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.51 -2.92 11.49 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.588 2.192 . . . . 0.0 112.091 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 tp -45.52 -27.7 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.66 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.494 ' CG ' ' N ' ' A' ' 137' ' ' LYS . 0.0 OUTLIER -42.66 -44.03 4.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.5 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.494 ' N ' ' CG ' ' A' ' 136' ' ' TYR . 67.6 tttt -57.21 -55.32 36.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.524 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -45.93 -36.56 5.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.463 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.59 -57.34 12.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.55 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.6 mp -46.17 -34.27 4.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.514 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -77.97 -57.8 3.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.714 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.49 ' SD ' ' OG ' ' A' ' 103' ' ' SER . 2.5 ttm -44.49 -26.83 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.385 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' A' ' 146' ' ' ALA . 10.2 mt -81.34 -48.88 11.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.468 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -44.98 -35.73 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.516 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.14 -24.52 47.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.542 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . 0.515 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -78.99 -24.01 44.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.469 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 88.38 22.34 41.14 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -85.83 160.68 19.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.709 0.29 . . . . 0.0 110.603 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.5 125.93 39.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.493 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 2.2 t -132.14 115.4 26.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.594 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 5.6 p -149.75 161.88 41.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.543 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -84.39 126.69 40.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.533 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.59 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 3.3 ttt -41.6 108.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.601 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.28 174.2 7.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.592 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -53.48 -49.23 67.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.65 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -55.27 -60.55 3.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.744 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . 0.408 ' CD ' ' N ' ' A' ' 157' ' ' GLU . 3.9 mp0 -54.53 -28.84 48.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.794 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.59 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 0.3 OUTLIER -67.83 -63.9 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.673 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 11.6 ttpp -42.62 -46.16 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.993 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.487 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.2 OUTLIER -67.78 -55.2 13.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.905 -179.681 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.487 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 10.9 t -56.21 -23.72 37.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.957 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' TRP . . . . . 0.634 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 4.5 t-105 -72.52 -69.72 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.913 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . 0.634 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 1.1 p30 -63.51 -14.23 48.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.274 -179.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 99.5 m -84.82 -25.75 27.91 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.22 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -121.56 18.77 11.25 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.594 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.573 ' C ' ' H ' ' A' ' 168' ' ' HIS . 58.8 t -134.44 154.09 36.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 121.06 0.457 . . . . 0.0 111.248 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . 0.417 ' N ' ' CG1' ' A' ' 166' ' ' VAL . 0.6 OUTLIER -75.05 33.02 0.1 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.575 179.424 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.746 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -38.18 -53.21 1.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.11 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . 0.629 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 42.8 mm-40 39.03 19.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.367 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . 0.746 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 140.35 0.08 1.91 Allowed Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . 0.618 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 1.2 m -114.12 85.98 10.98 Favored Pre-proline 0 CA--C 1.531 0.222 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -77.47 163.09 30.1 Favored 'Trans proline' 0 C--N 1.314 -1.283 0 C-N-CA 122.061 1.841 . . . . 0.0 112.655 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -51.56 142.56 13.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.734 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -120.84 84.1 37.66 Favored Pre-proline 0 CA--C 1.532 0.251 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.435 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -48.63 131.28 23.78 Favored 'Trans proline' 0 C--N 1.311 -1.435 0 C-N-CA 122.273 1.982 . . . . 0.0 112.147 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 1.3 p90 -98.25 178.15 5.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.509 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -80.84 101.13 9.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.517 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 139.11 -21.44 2.97 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.5 tt -42.26 -44.72 3.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.729 0.299 . . . . 0.0 110.505 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' A' ' 180' ' ' ASP . 0.6 OUTLIER -62.17 -54.02 47.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.567 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -53.35 -54.44 36.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.577 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -50.68 -46.66 58.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.549 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 12.1 t -62.15 -34.08 75.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.599 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -61.95 -34.72 76.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.612 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -74.11 -61.02 2.0 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.558 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 45.3 mt -56.27 -52.65 63.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.537 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 8.5 t -60.18 -46.47 89.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.635 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -47.22 -39.12 12.72 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.43 -60.03 2.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.797 0.332 . . . . 0.0 110.598 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.03 -46.89 44.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.568 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -61.97 -36.45 81.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.609 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . 0.47 ' O ' ' NE2' ' A' ' 195' ' ' GLN . . . -55.06 -48.27 73.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.654 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . 0.463 ' CD1' ' N ' ' A' ' 193' ' ' ILE . 1.6 mp -72.87 -43.32 60.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.626 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 196' ' ' ASN . 1.6 mm? -64.61 -18.55 65.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.637 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 192' ' ' ALA . 0.0 OUTLIER 64.0 -68.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.843 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 196' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 194' ' ' LEU . 1.6 t30 55.97 107.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.623 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -56.1 -74.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.613 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -172.34 112.45 0.44 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.466 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.407 ' O ' ' O ' ' A' ' 2' ' ' GLU . 2.7 mmt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 1' ' ' MET . 31.6 tt0 55.51 107.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.581 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -146.03 124.5 12.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.61 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.28 162.66 29.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.476 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -69.58 142.32 48.41 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.562 2.175 . . . . 0.0 112.08 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.51 -85.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.61 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.02 179.34 0.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.507 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -179.41 -65.7 0.07 OUTLIER Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 10' ' ' ARG . 57.7 Cg_endo -74.65 -51.97 0.12 Allowed 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.812 2.341 . . . . 0.0 112.196 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 9' ' ' PRO . 4.8 tmm_? 54.98 107.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.296 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.4 ' CD2' ' N ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER -167.31 73.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.362 -179.697 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.583 ' H ' ' CD2' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -98.82 173.44 6.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.524 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.59 ' SD ' ' CZ ' ' A' ' 54' ' ' PHE . 3.5 mpp? -74.81 167.34 22.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.756 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.67 144.69 80.78 Favored Pre-proline 0 CA--C 1.537 0.451 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.478 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.424 ' O ' ' OG1' ' A' ' 19' ' ' THR . 88.7 Cg_exo -41.49 -48.08 5.58 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 122.113 1.876 . . . . 0.0 112.13 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -45.62 74.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.117 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.9 mm -48.75 -33.58 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.813 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 35.9 t80 -82.5 -60.52 2.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 110.877 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -52.21 -25.66 9.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 -179.69 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.0 t -85.3 -46.93 10.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.66 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.598 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 24.2 t-20 -66.03 -26.44 67.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.666 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -110.19 22.0 16.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.684 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -61.72 102.97 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -43.2 118.57 1.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.609 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.35 76.91 1.01 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.404 ' O ' ' CZ ' ' A' ' 130' ' ' TYR . 1.8 pp -136.71 167.05 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.768 0.318 . . . . 0.0 110.469 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -158.51 -2.91 0.07 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 0.5 OUTLIER -172.9 120.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.589 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' A' ' 28' ' ' ARG . 3.8 m-70 -176.41 -89.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.625 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -175.17 102.14 0.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.296 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.572 ' HG1' HD21 ' A' ' 57' ' ' ASN . 1.6 p -46.56 159.94 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.048 0.451 . . . . 0.0 111.113 -179.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.598 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -130.58 146.99 52.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.264 179.847 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.416 ' C ' ' CD2' ' A' ' 33' ' ' LEU . 4.2 tt -136.29 109.19 7.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.665 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.25 112.36 25.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.006 179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.477 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 41.6 p90 -105.61 145.85 30.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.197 -179.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -139.29 130.73 27.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.374 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.4 t -98.14 135.79 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.979 0.419 . . . . 0.0 110.771 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -142.92 140.75 31.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.428 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.508 ' NH1' ' OD2' ' A' ' 41' ' ' ASP . 49.1 ttp85 -101.63 147.45 26.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.513 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mp -100.07 139.48 35.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.624 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.508 ' OD2' ' NH1' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -149.83 103.18 3.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.543 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.458 ' C ' ' H ' ' A' ' 44' ' ' THR . 3.4 t30 52.91 48.31 22.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.594 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.76 -16.76 3.04 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.458 ' H ' ' C ' ' A' ' 42' ' ' ASN . 1.3 m -84.23 106.94 16.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.87 0.366 . . . . 0.0 110.564 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.662 ' HG ' HH21 ' A' ' 91' ' ' ARG . 72.7 m -85.67 142.85 28.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.544 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 20.4 m -136.28 117.52 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.64 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.32 150.38 24.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.38 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.69 156.7 22.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.662 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.92 -50.49 4.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.638 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -85.14 61.75 7.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.979 0.419 . . . . 0.0 110.189 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -173.41 14.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.133 -179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.36 170.99 14.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.614 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.477 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . 179.98 -160.34 25.31 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.59 ' CZ ' ' SD ' ' A' ' 13' ' ' MET . 6.9 p90 -149.35 152.29 35.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.761 0.315 . . . . 0.0 110.68 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.409 ' C ' ' CD2' ' A' ' 56' ' ' HIS . 1.2 mp -127.2 178.52 5.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.465 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.409 ' CD2' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -139.62 148.43 42.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.653 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.572 HD21 ' HG1' ' A' ' 31' ' ' THR . 1.2 t-20 -48.71 154.51 0.68 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.644 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.436 ' O ' ' O ' ' A' ' 57' ' ' ASN . 23.1 pt20 35.9 -157.56 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.93 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -153.17 129.32 10.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.771 0.32 . . . . 0.0 110.719 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -65.65 77.04 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.517 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.524 ' C ' ' H ' ' A' ' 63' ' ' LEU . 55.8 m-80 -150.6 82.4 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.592 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.521 ' CD1' ' N ' ' A' ' 62' ' ' LEU . 7.6 mp -68.28 7.97 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.583 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.524 ' H ' ' C ' ' A' ' 61' ' ' ASN . 10.8 mp -69.53 -28.99 66.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.534 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.0 t -101.13 -16.54 17.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.54 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 66' ' ' PHE . . . 108.96 46.01 0.98 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.521 ' CE1' ' O ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 58.44 120.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.821 0.344 . . . . 0.0 110.715 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.521 ' O ' ' CE1' ' A' ' 66' ' ' PHE . 26.1 m-85 -83.41 149.57 26.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.493 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -132.93 69.31 0.54 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.4 ptt180 -137.9 142.62 40.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.861 0.362 . . . . 0.0 110.505 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -66.03 139.54 58.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.489 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.16 -25.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.402 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -63.33 -44.24 95.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.449 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.7 -59.96 3.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.046 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.5 ttp85 -53.19 -24.21 10.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.1 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -81.74 -39.43 24.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.356 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 tp -59.43 -23.57 62.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.08 0.467 . . . . 0.0 109.825 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.07 -16.52 57.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.3 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.3 tt -92.29 -5.15 52.86 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.034 -179.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.502 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -54.33 -44.27 98.53 Favored Pre-proline 0 CA--C 1.534 0.354 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.556 -179.31 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 25.8 Cg_exo -59.57 -20.77 59.08 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 121.995 1.797 . . . . 0.0 111.964 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.1 m -69.0 -9.08 50.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.588 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.454 ' CD1' ' N ' ' A' ' 82' ' ' LEU . 7.3 mp -100.58 -45.55 5.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.303 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.425 ' OE1' ' O ' ' A' ' 83' ' ' GLN . 0.3 OUTLIER 68.59 51.9 0.61 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.86 179.597 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 51.8 mt -68.56 101.92 1.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.437 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.421 ' OD1' ' OE1' ' A' ' 83' ' ' GLN . 0.3 OUTLIER -77.91 161.35 71.53 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.538 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 87' ' ' ALA . 52.1 Cg_endo -71.47 1.28 5.72 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.577 2.185 . . . . 0.0 112.12 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 86' ' ' PRO . . . -41.57 -93.92 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.547 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.666 ' NE2' ' H ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -104.73 -168.91 1.54 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.381 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.428 ' CG2' ' N ' ' A' ' 90' ' ' TYR . 3.2 mm -85.61 157.82 3.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.535 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.428 ' N ' ' CG2' ' A' ' 89' ' ' ILE . 18.1 m-85 -135.65 168.29 19.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.342 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.662 HH21 ' HG ' ' A' ' 45' ' ' SER . 0.5 OUTLIER -150.59 107.79 3.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.796 -179.839 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.4 t -96.14 124.78 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.926 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.6 m -99.63 119.91 38.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.741 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 20.4 m0 -100.35 132.21 45.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.058 0.456 . . . . 0.0 110.677 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.432 ' CE2' ' SG ' ' A' ' 161' ' ' CYS . 62.7 m-85 -124.49 102.75 7.8 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -111.52 143.44 21.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.684 -178.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.487 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 1.6 p -91.63 -26.76 18.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.892 179.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 16.5 m95 -111.79 151.0 29.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.123 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 100' ' ' PRO . 37.8 m -83.57 150.61 60.19 Favored Pre-proline 0 CA--C 1.533 0.326 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.499 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' A' ' 99' ' ' SER . 66.5 Cg_exo -42.11 170.84 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.284 0 C-N-CA 122.244 1.963 . . . . 0.0 112.375 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.7 p -112.19 -46.56 3.18 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.275 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' A' ' 105' ' ' GLY . 1.5 t80 -135.79 111.37 9.26 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.94 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 80.2 p -41.08 -36.64 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.977 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -85.25 -19.82 31.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.586 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.22 -63.23 1.59 Allowed Glycine 0 CA--C 1.525 0.695 0 C-N-CA 120.43 -0.89 . . . . 0.0 110.935 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.4 m -78.1 -68.97 0.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 0.0 110.697 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -54.85 -39.05 68.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.604 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -56.96 -60.3 9.29 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -51.15 -39.78 57.09 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.295 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.54 -37.14 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.489 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -59.6 -58.9 6.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.414 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.411 ' O ' ' OE1' ' A' ' 116' ' ' GLU . . . -49.59 -42.6 44.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.361 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -61.91 -31.16 71.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.651 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.0 mp -80.9 -52.05 7.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.725 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -51.86 -25.9 8.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.573 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' A' ' 112' ' ' ALA . 5.0 pt-20 -110.18 18.09 20.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.556 ' C ' ' H ' ' A' ' 119' ' ' HIS . 5.8 t30 -166.53 35.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.739 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.418 ' C ' ' H ' ' A' ' 120' ' ' VAL . 68.7 p -51.48 -5.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.173 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.556 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -75.73 11.23 1.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 0.0 110.657 -179.881 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.418 ' H ' ' C ' ' A' ' 118' ' ' THR . 4.1 p -138.94 129.33 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.68 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -91.47 120.92 32.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.346 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.18 112.59 25.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.048 -179.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -94.34 121.16 35.58 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 21.0 mm -104.38 125.97 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.927 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -126.4 113.42 16.84 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -98.25 110.87 23.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.155 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -78.52 -38.82 39.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.788 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.487 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.5 OUTLIER -137.05 148.6 46.89 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.571 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 2.1 mp -114.17 104.25 16.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.747 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.404 ' CZ ' ' O ' ' A' ' 26' ' ' ILE . 6.9 m-85 -140.13 118.69 12.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.258 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.462 ' C ' ' H ' ' A' ' 133' ' ' ASP . 19.6 p30 -177.61 138.3 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.462 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . 0.504 ' CD2' ' OD1' ' A' ' 133' ' ' ASP . 54.7 p90 -74.21 10.06 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.143 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.521 ' C ' ' H ' ' A' ' 135' ' ' LEU . 57.9 m-20 -125.48 78.99 67.68 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.545 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.488 ' C ' ' H ' ' A' ' 136' ' ' TYR . 50.7 Cg_exo -49.9 -5.35 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.638 2.226 . . . . 0.0 112.492 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.521 ' H ' ' C ' ' A' ' 133' ' ' ASP . 2.6 mt -46.84 -14.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.608 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.488 ' H ' ' C ' ' A' ' 134' ' ' PRO . 0.2 OUTLIER -42.19 -33.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.546 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -52.74 -59.21 4.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.251 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.05 -32.21 63.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.154 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -69.02 -24.09 64.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.388 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.7 -43.54 54.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.245 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -80.12 -36.91 34.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.769 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -46.53 80.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.687 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 146' ' ' ALA . 52.5 tp -66.19 -49.76 66.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.464 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 8.5 ttt85 -45.0 -48.66 11.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.555 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -58.54 -24.82 61.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.584 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -70.81 -10.94 60.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.636 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.31 -32.34 6.04 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -47.59 164.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.77 0.319 . . . . 0.0 110.502 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.25 132.7 41.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.513 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.99 111.92 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.654 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.08 162.11 41.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.509 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 10.1 mt -83.02 132.87 30.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.449 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.586 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 5.8 ttt -41.51 118.92 1.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.539 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.24 160.03 15.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.642 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -56.21 -45.98 79.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.616 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -43.14 75.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.492 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -65.85 -40.27 91.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.519 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.586 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.8 OUTLIER -52.37 -41.45 63.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.536 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -67.03 -60.79 2.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.595 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.432 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -47.74 -44.47 28.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.363 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.529 ' O ' ' N ' ' A' ' 165' ' ' PHE . 1.3 m -67.19 -52.92 35.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.591 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' TRP . . . . . 0.585 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.1 t-105 -43.81 -66.57 0.37 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . 0.585 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -59.37 -30.35 68.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.452 -179.215 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 91.0 m -83.74 -16.36 45.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.354 -179.096 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.529 ' N ' ' O ' ' A' ' 161' ' ' CYS . 36.1 m-85 -120.42 19.7 12.0 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.377 -179.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.564 ' C ' ' H ' ' A' ' 168' ' ' HIS . 96.1 t -144.67 154.05 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.026 0.441 . . . . 0.0 111.121 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 168' ' ' HIS . 32.8 p30 -75.5 29.22 0.1 Allowed 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.873 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.729 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -37.84 -52.18 1.31 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.036 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . 0.609 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 13.8 mt-30 40.12 18.62 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.396 179.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . 0.729 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 138.92 4.42 1.56 Allowed Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.386 -0.685 . . . . 0.0 111.386 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . 0.627 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 1.2 m -115.55 84.1 11.82 Favored Pre-proline 0 CA--C 1.53 0.201 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -79.19 131.87 10.02 Favored 'Trans proline' 0 C--N 1.313 -1.303 0 C-N-CA 122.137 1.891 . . . . 0.0 112.317 -179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . 0.434 ' CE1' ' O ' ' A' ' 174' ' ' GLN . 2.4 t80 -79.31 128.72 33.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.65 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.459 ' CD ' ' N ' ' A' ' 174' ' ' GLN . 0.0 OUTLIER -101.23 156.68 34.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.423 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -71.29 146.89 52.0 Favored 'Trans proline' 0 N--CA 1.494 1.5 0 C-N-CA 122.476 2.118 . . . . 0.0 112.098 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 1.2 p90 -101.18 -170.06 1.78 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.292 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.25 86.56 7.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.585 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 151.78 -24.76 0.93 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 3.1 tp -56.57 -38.26 71.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 110.46 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 180' ' ' ASP . 0.0 OUTLIER -70.4 -50.93 33.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.495 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -56.47 -57.19 13.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.54 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -49.38 -55.45 12.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.575 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 55.4 p -48.46 -39.72 23.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.63 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -66.73 -48.04 70.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.461 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -57.7 -58.62 7.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.425 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 5.6 mt -51.6 -49.15 62.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.519 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 48.4 m -56.51 -25.04 50.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.492 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -72.42 -44.98 39.96 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 22.2 mtm180 -59.4 -61.67 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.318 . . . . 0.0 110.493 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.2 tt -47.8 -56.65 6.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.468 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 195' ' ' GLN . 6.7 ttt180 -49.97 -36.17 27.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.564 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -57.78 -50.42 73.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.62 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . 0.406 ' N ' ' CD1' ' A' ' 193' ' ' ILE . 1.7 mp -59.45 -38.12 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.461 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 4.0 mt -77.58 -30.88 52.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.55 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 191' ' ' ARG . 30.1 mm-40 -133.44 -99.78 0.26 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.549 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -163.24 -56.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.562 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -141.59 -62.42 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.566 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 175.18 -116.84 0.59 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 199' ' ' ASN . . . . . 0.413 ' O ' ' OD1' ' A' ' 199' ' ' ASN . 27.6 p30 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.491 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.521 ' O ' ' N ' ' A' ' 3' ' ' ALA . 1.6 mmt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.425 ' CD ' ' N ' ' A' ' 2' ' ' GLU . 4.9 mp0 49.65 -87.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.666 -179.904 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 1' ' ' MET . . . 66.6 110.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.599 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.556 ' HG ' ' H ' ' A' ' 6' ' ' ALA . 0.0 OUTLIER -92.81 162.62 28.52 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.394 -179.91 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.554 ' N ' ' HG ' ' A' ' 4' ' ' SER . 39.6 Cg_endo -69.75 -28.14 25.67 Favored 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.488 2.125 . . . . 0.0 112.066 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.556 ' H ' ' HG ' ' A' ' 4' ' ' SER . . . 78.09 -38.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.622 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.425 ' H ' ' C ' ' A' ' 5' ' ' PRO . 1.2 m 59.16 103.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.59 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.02 -61.9 6.93 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -45.52 114.77 0.8 Allowed 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.743 2.295 . . . . 0.0 112.042 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.67 169.99 19.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.701 -179.916 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -156.94 68.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.241 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.509 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 6.4 mp -94.55 174.98 6.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.068 -179.835 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.508 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -61.16 144.26 53.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.322 -179.818 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.0 138.7 79.34 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.781 -179.213 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.418 ' O ' ' OG1' ' A' ' 19' ' ' THR . 81.0 Cg_exo -40.96 -46.76 5.0 Favored 'Trans proline' 0 N--CA 1.491 1.331 0 C-N-CA 122.132 1.888 . . . . 0.0 112.407 179.436 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -70.17 -44.73 68.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.197 -179.442 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.7 mm -48.81 -39.18 11.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.75 -179.525 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -79.3 -60.89 2.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.689 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.5 OUTLIER -48.16 -24.24 1.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.642 -179.954 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.5 t -81.08 -49.36 10.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.63 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -71.81 -1.63 14.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.732 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -133.17 24.52 4.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.664 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.5 ' CG ' ' H ' ' A' ' 24' ' ' ASN . 0.7 OUTLIER -77.86 -119.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.614 179.95 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.5 ' H ' ' CG ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -148.7 157.61 43.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.497 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 43.38 70.96 0.47 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.6 pp -103.2 -165.95 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.23 159.05 27.88 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.519 ' CA ' ' NE ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -68.64 124.34 23.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.415 0.626 . . . . 0.0 110.392 -179.289 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.574 ' N ' ' ND1' ' A' ' 29' ' ' HIS . 0.0 OUTLIER -157.29 -30.35 0.08 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.544 179.537 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.44 ' N ' ' ND1' ' A' ' 29' ' ' HIS . 2.9 pttt 168.23 77.35 0.0 OUTLIER 'General case' 0 C--O 1.231 0.095 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.793 179.641 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.491 ' HG1' ' N ' ' A' ' 32' ' ' TYR . 4.9 t -44.52 162.29 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.769 179.928 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.491 ' N ' ' HG1' ' A' ' 31' ' ' THR . 2.5 m-85 -110.65 151.05 28.14 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.754 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.1 tp -143.12 111.88 6.44 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.454 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.31 132.19 51.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.065 179.437 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.441 ' O ' ' CG ' ' A' ' 35' ' ' TYR . 6.5 p90 -123.82 134.57 53.59 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 -179.568 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -123.26 159.1 29.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.276 179.587 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.6 t -130.56 123.38 54.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.584 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.526 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 1.2 tm-20 -139.14 138.24 36.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.625 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -98.11 139.02 34.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.496 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.9 mt -105.77 137.79 43.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.502 -179.793 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -148.42 104.57 3.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.527 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 55.66 36.1 26.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.554 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.9 -3.17 84.7 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.9 m -87.61 114.5 24.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 110.526 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.422 ' OG ' ' OE1' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -97.41 110.27 22.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.589 -179.938 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.8 t -101.53 98.37 6.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.532 179.906 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -73.33 131.55 42.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.444 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.464 ' O ' ' NH1' ' A' ' 52' ' ' ARG . 53.8 mtt -80.97 150.77 28.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.658 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.21 -50.4 5.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.474 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -108.44 71.07 0.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.383 179.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 33.9 t-80 -163.66 14.39 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.619 -179.734 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.464 ' NH1' ' O ' ' A' ' 48' ' ' MET . 5.5 ptp85 -124.21 170.84 10.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.56 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -178.94 -174.26 44.97 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.491 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 8.1 p90 -147.47 147.92 30.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.734 0.302 . . . . 0.0 110.678 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mp -133.56 166.67 22.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.592 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -128.94 151.57 49.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.217 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.429 ' O ' ' O ' ' A' ' 58' ' ' GLN . 0.1 OUTLIER -92.51 171.83 8.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 110.929 -179.804 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.481 HE22 ' CD ' ' A' ' 28' ' ' ARG . 0.2 OUTLIER 48.94 101.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.736 -179.927 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.428 ' C ' ' H ' ' A' ' 61' ' ' ASN . . . -103.33 16.49 26.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.584 179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.5 mtpp 56.47 9.35 0.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.603 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.428 ' H ' ' C ' ' A' ' 59' ' ' ALA . 7.9 m120 -93.87 50.31 1.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.525 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 mp -76.42 -49.41 16.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.528 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.03 -20.84 66.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.511 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.487 ' O ' ' SG ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER -77.46 -5.9 51.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.514 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.74 -7.04 52.79 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -100.87 76.55 1.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.319 . . . . 0.0 110.545 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.466 ' O ' ' N ' ' A' ' 69' ' ' ARG . 0.6 OUTLIER -54.24 155.32 3.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.545 -179.939 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -41.18 93.99 0.01 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -100.58 117.33 34.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 110.412 179.92 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -42.45 138.83 1.67 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.538 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.62 -36.52 80.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.439 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -55.96 -52.14 65.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.493 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.2 mp -53.05 -39.01 62.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.477 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -69.46 -27.44 65.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.58 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -78.86 -48.22 15.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.593 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 tp -65.76 -20.32 66.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.667 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -77.43 -29.06 52.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.991 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.411 ' C ' ' CD1' ' A' ' 78' ' ' LEU . 4.1 pp -105.05 7.79 34.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.675 -179.891 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.572 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -63.88 -41.44 63.65 Favored Pre-proline 0 CA--C 1.532 0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.806 179.865 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 32.9 Cg_exo -58.5 -18.53 39.84 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.166 1.911 . . . . 0.0 111.9 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.2 t -57.1 -8.98 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.598 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.437 ' H ' ' C ' ' A' ' 80' ' ' PRO . 35.1 mt -97.41 -34.64 10.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.531 -179.783 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 56.34 44.91 23.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.89 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 79.6 mt -50.46 135.86 21.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.219 179.727 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.51 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -100.63 162.58 20.28 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.615 -179.798 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -71.75 3.8 3.54 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.572 2.182 . . . . 0.0 112.232 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.56 -70.61 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.567 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.569 ' NE2' ' H ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -129.68 -176.42 3.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.199 179.804 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.9 mt -84.64 157.96 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.612 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -127.92 169.71 13.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.618 -179.907 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.526 ' NH2' ' OE1' ' A' ' 38' ' ' GLU . 4.6 ttm180 -147.09 107.35 4.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.621 179.822 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 39.5 t -93.31 126.48 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.291 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.34 116.75 32.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.814 -179.649 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 14.0 m0 -101.31 131.96 47.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.568 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.526 ' CG ' ' SG ' ' A' ' 161' ' ' CYS . 19.0 m-85 -126.68 102.94 7.29 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 178.664 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.74 141.08 24.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.76 -178.548 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.42 ' HG ' ' H ' ' A' ' 32' ' ' TYR . 2.9 p -93.24 -18.42 22.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.669 178.986 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.517 ' CE3' ' NH2' ' A' ' 28' ' ' ARG . 20.1 m95 -125.63 141.64 51.92 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.391 -179.903 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.33 159.73 2.98 Favored Pre-proline 0 C--N 1.331 -0.233 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.327 179.513 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -69.45 165.01 32.08 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 122.388 2.059 . . . . 0.0 112.203 179.715 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.598 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 13.9 p -96.58 -145.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.545 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.598 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -40.96 103.57 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.892 179.568 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 17.5 p -38.86 -24.63 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.646 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.52 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -84.61 -33.95 23.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.254 -179.59 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -77.65 -61.65 2.54 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -68.64 -68.95 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.742 0.306 . . . . 0.0 111.123 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.87 -60.36 3.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.092 -179.475 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -42.0 -53.05 4.77 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 105' ' ' GLY . 6.0 mm-40 -49.42 -44.68 45.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.37 . . . . 0.0 110.328 179.862 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 87.1 t -68.29 -43.33 84.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.438 179.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.495 ' NH2' ' OE1' ' A' ' 115' ' ' GLN . 69.7 ttt-85 -49.22 -58.51 4.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.42 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.8 -48.01 67.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.389 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -52.61 -36.45 56.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.508 179.843 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.464 ' C ' ' N ' ' A' ' 116' ' ' GLU . 4.8 mp -77.81 -58.48 3.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.55 -179.912 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.495 ' OE1' ' NH2' ' A' ' 111' ' ' ARG . 14.6 mt-30 -47.99 -15.17 0.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.42 179.86 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.464 ' N ' ' C ' ' A' ' 114' ' ' LEU . 29.9 tt0 -110.13 -38.64 5.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.808 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.443 ' C ' ' H ' ' A' ' 119' ' ' HIS . 70.3 m-20 -125.3 52.95 1.57 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.825 -179.668 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.403 ' C ' ' H ' ' A' ' 120' ' ' VAL . 2.4 t -67.65 2.57 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.512 179.917 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.443 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.1 OUTLIER -76.31 9.83 2.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.358 179.871 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.403 ' H ' ' C ' ' A' ' 118' ' ' THR . 9.3 p -132.36 147.28 32.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.518 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -91.53 126.71 36.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.369 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.83 112.33 24.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.575 -179.793 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -110.71 118.89 37.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.984 179.496 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 9.1 mt -105.45 129.17 58.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.117 -179.254 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.523 ' CD1' ' OE1' ' A' ' 157' ' ' GLU . 65.9 m-85 -124.86 108.49 11.97 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.734 179.514 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -92.22 106.87 18.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.265 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -75.17 -38.11 60.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.623 -179.846 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.43 132.88 28.52 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.733 179.889 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 2.5 mp -98.2 109.71 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.621 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -127.96 135.35 49.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.383 179.672 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -168.39 171.75 8.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.681 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -103.57 -21.75 13.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.627 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.01 160.4 58.28 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.379 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.45 64.52 2.89 Favored 'Trans proline' 0 C--N 1.31 -1.472 0 C-N-CA 122.481 2.121 . . . . 0.0 111.898 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.5 tp -92.96 -30.79 15.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.571 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.594 ' CD1' ' N ' ' A' ' 137' ' ' LYS . 0.5 OUTLIER -45.98 -24.92 0.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.51 -179.92 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.594 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 10.1 ttmm -58.9 -61.1 2.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.519 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.96 -36.04 69.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.53 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.7 -49.79 75.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.527 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.5 mp -52.99 -41.51 64.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.455 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . 0.592 HE22 ' NH2' ' A' ' 144' ' ' ARG . 67.2 mm-40 -70.89 -54.87 9.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.618 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 9.9 mmm -45.27 -41.97 9.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.587 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.1 mt -68.92 -42.41 76.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.645 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.592 ' NH2' HE22 ' A' ' 141' ' ' GLN . 16.3 ttm180 -56.31 -31.49 63.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.518 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.3 -14.15 41.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.579 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.43 -18.14 27.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.542 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.8 70.69 1.26 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -144.51 166.76 24.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 110.561 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -93.65 123.12 36.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.55 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -127.46 109.95 21.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.588 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 67.6 m -151.48 162.52 40.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.414 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 22.9 mt -90.91 139.03 18.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.495 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.585 ' SD ' ' CE1' ' A' ' 158' ' ' PHE . 2.8 ttm -48.87 120.03 3.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.593 -179.858 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 31.7 p -97.84 165.63 11.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.739 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -48.0 -44.26 30.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.663 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -62.2 -61.05 2.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . 0.523 ' OE1' ' CD1' ' A' ' 125' ' ' PHE . 37.0 mt-10 -52.2 -29.05 20.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.603 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.585 ' CE1' ' SD ' ' A' ' 153' ' ' MET . 0.3 OUTLIER -63.25 -65.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.32 179.814 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -42.52 -41.22 2.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.612 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.93 -57.58 4.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.594 -179.894 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.612 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 2.6 t -55.08 -23.22 19.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.569 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 162' ' ' TRP . . . . . 0.617 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.4 t-105 -72.56 -70.52 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.209 -179.554 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . 0.617 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 1.4 p30 -66.23 -14.34 61.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.333 -179.359 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 87.1 m -81.71 -25.87 35.08 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.192 -179.604 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.508 ' O ' ' SD ' ' A' ' 13' ' ' MET . 5.3 m-85 -121.26 16.82 11.48 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.161 -179.547 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.572 ' C ' ' H ' ' A' ' 168' ' ' HIS . 71.5 t -130.66 153.8 39.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.882 0.372 . . . . 0.0 111.587 179.912 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . 0.417 ' N ' ' CG1' ' A' ' 166' ' ' VAL . 1.5 p-10 -74.69 29.71 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.608 178.885 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.718 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -36.84 -56.45 0.85 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.255 -179.783 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . 0.621 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 1.9 mt-30 42.72 14.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.232 179.423 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . 0.718 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 145.27 -1.69 1.05 Allowed Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . 0.629 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 0.1 OUTLIER -99.57 106.25 38.71 Favored Pre-proline 0 CA--C 1.538 0.492 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.74 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -77.1 158.24 33.97 Favored 'Trans proline' 0 N--CA 1.491 1.354 0 C-N-CA 121.737 1.624 . . . . 0.0 112.723 -179.099 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -51.81 149.79 4.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.666 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -114.26 87.07 12.82 Favored Pre-proline 0 CA--C 1.533 0.305 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.617 -179.837 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -79.9 131.22 8.94 Favored 'Trans proline' 0 C--N 1.314 -1.247 0 C-N-CA 122.132 1.888 . . . . 0.0 112.027 -179.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 26.7 p90 -89.77 145.19 25.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.659 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -52.96 102.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.569 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 136.33 -12.6 4.07 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.17 -30.38 26.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.563 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . 0.407 ' O ' ' OG ' ' A' ' 183' ' ' SER . 34.0 m-20 -73.74 -47.55 38.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.508 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -62.63 -57.58 10.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.539 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -49.68 -46.63 50.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.572 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 183' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 180' ' ' ASP . 89.1 p -59.27 -44.77 92.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.656 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -56.19 -30.25 62.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.552 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -72.94 -65.17 0.83 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 8.4 mp -53.93 -49.24 69.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.466 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 22.8 m -59.58 -32.25 70.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.382 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -67.49 -37.51 89.96 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -61.22 -59.57 5.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.775 0.321 . . . . 0.0 110.476 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -57.18 -28.6 62.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.512 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -79.81 -16.26 55.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.485 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -79.46 -49.22 12.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.628 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . 0.413 ' CG2' ' N ' ' A' ' 194' ' ' LEU . 20.6 tt -68.63 -42.44 83.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.628 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.413 ' N ' ' CG2' ' A' ' 193' ' ' ILE . 0.7 OUTLIER -46.22 -22.28 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.411 179.958 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . 0.409 ' N ' ' C ' ' A' ' 193' ' ' ILE . 4.1 mm-40 49.22 91.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.57 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 196' ' ' ASN . . . . . 0.616 HD21 ' N ' ' A' ' 197' ' ' GLN . 0.7 OUTLIER 60.47 164.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.519 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . 0.616 ' N ' HD21 ' A' ' 196' ' ' ASN . 43.3 mt-30 -56.58 -74.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.635 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -152.68 -85.09 0.05 OUTLIER Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.547 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.502 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 3' ' ' ALA . 3.6 ttt . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 54.38 -91.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.612 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 1' ' ' MET . . . 72.52 -66.62 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.598 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.471 ' C ' ' H ' ' A' ' 6' ' ' ALA . 24.3 p 42.72 70.84 1.6 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.575 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -51.01 -8.92 0.19 Allowed 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.833 2.356 . . . . 0.0 112.127 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.471 ' H ' ' C ' ' A' ' 4' ' ' SER . . . 53.6 53.47 11.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.593 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 26.8 p -163.84 91.33 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.585 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -137.38 177.09 20.12 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -75.03 -163.7 0.2 Allowed 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.943 2.429 . . . . 0.0 112.082 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.41 -179.45 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.558 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.51 ' CD2' ' O ' ' A' ' 11' ' ' HIS . 0.4 OUTLIER -156.05 83.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.663 179.948 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.509 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 7.6 mp -95.17 173.35 7.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.329 179.857 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.473 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 2.6 mpp? -80.74 165.97 21.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.782 0.325 . . . . 0.0 110.447 179.594 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -81.15 143.21 52.27 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.824 -179.401 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.438 ' O ' ' OG1' ' A' ' 19' ' ' THR . 71.7 Cg_exo -42.44 -55.65 2.48 Favored 'Trans proline' 0 N--CA 1.489 1.257 0 C-N-CA 122.184 1.922 . . . . 0.0 112.701 179.612 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -59.74 -46.78 88.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.763 -179.056 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 mm -48.47 -36.06 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.853 -179.177 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -82.69 -61.14 1.96 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.724 0.297 . . . . 0.0 110.913 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -44.35 -24.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.783 -179.674 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.6 m -85.75 -59.7 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.759 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.535 HD21 ' NH2' ' A' ' 28' ' ' ARG . 11.7 m120 -64.78 -4.06 3.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.876 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 23' ' ' ASN . 41.8 m-85 -133.37 17.67 4.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.675 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.44 ' CG ' ' H ' ' A' ' 24' ' ' ASN . 58.9 t-20 -59.79 -123.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.5 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.44 ' H ' ' CG ' ' A' ' 23' ' ' ASN . 0.5 OUTLIER -158.92 119.67 3.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.674 179.975 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.665 ' H ' ' NH1' ' A' ' 128' ' ' ARG . . . 69.17 108.25 0.03 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.518 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -145.57 -167.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.867 0.365 . . . . 0.0 110.588 179.865 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.58 30.87 0.41 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.535 ' NH2' HD21 ' A' ' 21' ' ' ASN . 0.2 OUTLIER -103.77 150.42 24.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.852 0.358 . . . . 0.0 110.638 -179.94 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.523 ' N ' ' ND1' ' A' ' 29' ' ' HIS . 0.6 OUTLIER -101.84 82.94 2.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.55 179.889 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.77 50.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.616 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 t -46.97 153.82 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.142 -179.77 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.45 ' CZ ' ' ND1' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -115.75 140.48 49.17 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.115 179.487 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.422 ' C ' ' CD2' ' A' ' 33' ' ' LEU . 5.3 tt -132.45 118.04 18.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.607 -179.692 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.67 125.55 54.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.075 179.578 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.401 ' CZ ' ' N ' ' A' ' 53' ' ' GLY . 29.4 p90 -115.26 143.1 45.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 -179.664 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.484 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 1.2 mm-40 -128.69 156.98 42.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.317 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.484 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 7.0 t -129.09 127.67 66.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.863 -179.79 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -136.7 118.12 14.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.351 179.609 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.1 ttt-85 -87.13 135.91 33.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.644 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 3.6 mm? -72.59 145.3 47.46 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -153.44 107.33 3.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.616 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.05 22.12 8.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.567 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.91 -12.95 66.8 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.7 m -89.0 138.59 31.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.78 0.324 . . . . 0.0 110.579 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.421 ' O ' ' OG ' ' A' ' 45' ' ' SER . 0.9 OUTLIER -86.62 112.1 21.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.492 -179.941 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.3 t -99.57 107.22 20.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.585 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -83.57 136.36 34.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.51 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 57.9 mtm -99.85 145.96 27.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.657 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.4 -50.12 7.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.574 -179.899 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -92.15 69.74 5.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.44 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.438 ' ND1' ' CB ' ' A' ' 37' ' ' VAL . 13.9 t-80 -168.51 -5.61 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.539 -179.865 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -103.06 170.71 7.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.495 -179.913 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.401 ' N ' ' CZ ' ' A' ' 35' ' ' TYR . . . -175.05 175.83 47.12 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.454 ' CE1' ' SD ' ' A' ' 13' ' ' MET . 18.2 p90 -149.87 152.81 35.7 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.5 150.21 17.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 110.763 -179.876 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.55 ' ND1' ' N ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -100.58 164.43 11.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.246 179.828 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.464 ' CG ' ' N ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -86.83 -167.68 1.97 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.8 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.464 ' N ' ' CG ' ' A' ' 57' ' ' ASN . 14.0 tp60 74.81 -59.74 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.57 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 56.68 166.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.602 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.468 ' CG ' ' H ' ' A' ' 61' ' ' ASN . 1.4 tptp -75.86 -144.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.468 ' H ' ' CG ' ' A' ' 60' ' ' LYS . 1.2 m120 56.75 47.78 17.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.571 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.1 mt -60.48 -50.94 71.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.58 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.47 ' C ' ' H ' ' A' ' 65' ' ' GLY . 9.8 mp -53.06 -38.1 62.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.557 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 34.0 m -72.37 10.98 0.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.47 ' H ' ' C ' ' A' ' 63' ' ' LEU . . . 50.26 28.08 12.81 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -84.19 -4.3 58.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.776 0.322 . . . . 0.0 110.619 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.429 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 31.8 p90 -75.17 144.74 42.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.576 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.27 44.45 3.0 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -134.77 105.52 6.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.865 0.364 . . . . 0.0 110.592 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -43.06 140.31 1.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.665 179.931 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.1 -21.15 65.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.582 -178.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.52 ' OE2' ' CZ3' ' A' ' 94' ' ' TRP . 2.1 tp10 -42.31 -58.53 2.15 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.879 -179.462 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.8 mp -63.66 -48.47 77.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.178 -179.692 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.1 mmm-85 -44.0 -28.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.413 -179.822 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -84.54 -49.89 8.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.305 179.673 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.3 tp -60.15 -19.48 54.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.454 179.689 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -72.77 -41.48 65.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.701 -179.276 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.0 pp -97.11 8.79 43.77 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.02 -179.544 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.573 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -63.62 -41.55 66.55 Favored Pre-proline 0 CA--C 1.533 0.313 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.888 179.781 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 34.5 Cg_exo -57.19 -18.8 31.18 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.145 1.897 . . . . 0.0 111.95 -179.914 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.21 -22.07 64.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.463 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.7 mt -71.29 -26.2 62.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.475 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 63.22 47.22 4.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.736 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 74.9 mt -41.81 156.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.439 179.76 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.411 ' C ' ' H ' ' A' ' 87' ' ' ALA . 10.9 t70 -115.28 85.43 12.85 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.662 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -48.07 -13.93 0.25 Allowed 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 122.257 1.971 . . . . 0.0 112.229 -179.783 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.411 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -60.33 -18.7 51.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.342 179.819 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -138.63 -167.55 2.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -107.79 158.95 7.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.065 0.46 . . . . 0.0 110.587 179.803 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -140.1 163.78 31.79 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.798 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -128.2 105.75 8.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.381 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.1 t -95.18 111.3 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.285 179.801 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -98.97 118.74 36.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.757 -179.782 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.52 ' CZ3' ' OE2' ' A' ' 72' ' ' GLU . 17.6 m0 -100.92 132.28 46.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.73 179.879 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -123.11 102.72 8.13 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.361 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.42 134.18 56.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.695 -178.118 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 1.4 p -86.5 -26.49 24.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.904 178.888 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.47 ' CH2' ' O ' ' A' ' 28' ' ' ARG . 18.3 m95 -111.89 153.35 26.8 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.674 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.51 160.82 76.5 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.367 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -56.0 172.86 0.49 Allowed 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.58 2.187 . . . . 0.0 112.06 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.97 -74.06 0.63 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.605 -179.803 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.52 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -101.63 99.19 9.44 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.438 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 52.1 m -41.61 -30.18 0.21 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.985 -179.529 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -85.41 -23.92 27.72 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.731 -179.297 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -84.89 -62.15 1.7 Allowed Glycine 0 CA--C 1.525 0.682 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.223 -179.627 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -72.92 -59.23 2.81 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.142 -179.651 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.33 -50.48 71.45 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.665 -179.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -48.96 -43.03 30.86 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.862 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -71.02 -37.01 72.61 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.093 179.702 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 94.1 t -62.71 -62.95 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.436 179.672 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.55 ' CG ' ' N ' ' A' ' 112' ' ' ALA . 0.1 OUTLIER -47.21 -51.72 17.77 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.331 -0.547 . . . . 0.0 109.577 179.866 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.55 ' N ' ' CG ' ' A' ' 111' ' ' ARG . . . -42.25 -44.88 3.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.423 -179.677 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -63.04 -33.18 74.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.706 179.729 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 111' ' ' ARG . 5.2 mt -76.13 -58.99 2.96 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.269 -179.521 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.544 ' N ' ' OE1' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -58.86 -14.08 7.99 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.241 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -103.19 -39.26 6.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.503 ' O ' ' N ' ' A' ' 119' ' ' HIS . 2.3 m120 -125.19 49.19 1.91 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.883 -179.801 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.482 ' C ' ' H ' ' A' ' 120' ' ' VAL . 1.6 t -45.71 -13.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.081 -179.814 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.508 ' CE1' ' CG2' ' A' ' 120' ' ' VAL . 10.2 p80 -76.23 17.63 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.05 0.453 . . . . 0.0 110.472 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.508 ' CG2' ' CE1' ' A' ' 119' ' ' HIS . 42.2 t -140.14 138.3 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.384 179.822 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -91.3 148.49 22.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.111 179.766 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.81 112.39 13.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.815 -179.567 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -114.05 118.95 35.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.788 179.385 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 7.7 mt -105.07 129.8 57.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.039 -179.36 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.521 ' CE1' ' OE2' ' A' ' 157' ' ' GLU . 66.6 m-85 -124.5 114.74 19.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.574 179.644 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -98.43 96.86 8.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.49 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.0 -37.62 88.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.675 -179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.665 ' NH1' ' H ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -138.56 134.01 33.3 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.726 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.557 ' CD1' ' N ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -92.48 110.0 22.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.268 179.756 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -162.55 129.38 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.453 -179.848 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.493 ' C ' ' H ' ' A' ' 133' ' ' ASP . 29.1 p-10 -174.64 131.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.493 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -70.72 9.81 0.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.213 179.8 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.564 ' C ' ' H ' ' A' ' 135' ' ' LEU . 53.3 m-20 -119.63 85.62 33.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.506 -179.909 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.452 ' C ' ' H ' ' A' ' 136' ' ' TYR . 50.2 Cg_exo -50.43 -1.27 0.04 OUTLIER 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.639 2.226 . . . . 0.0 112.818 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.564 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.4 tp -69.48 4.66 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.8 0.333 . . . . 0.0 110.577 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.452 ' H ' ' C ' ' A' ' 134' ' ' PRO . 6.9 p90 -56.99 -30.39 64.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.77 -179.909 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -57.7 -60.07 4.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.336 179.815 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -59.14 -23.57 62.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.301 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -69.25 -34.35 74.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.564 179.893 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.0 mp -72.51 -43.77 63.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.65 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -74.69 -48.89 23.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.796 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.3 -54.6 20.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.701 -179.832 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 29.7 tp -61.56 -43.7 98.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.79 -179.777 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.508 ' C ' ' H ' ' A' ' 146' ' ' ALA . 36.8 ttp180 -47.4 -41.33 19.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.836 -179.768 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -63.22 2.28 0.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.711 -179.857 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . 0.508 ' H ' ' C ' ' A' ' 144' ' ' ARG . . . -104.48 -24.21 13.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.652 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 102.9 -24.62 30.07 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -46.92 157.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.744 0.306 . . . . 0.0 110.603 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -95.7 124.76 39.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.524 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.417 ' O ' ' CG1' ' A' ' 150' ' ' VAL . 10.6 p -132.0 109.7 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.546 -179.875 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.11 162.02 41.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.608 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.93 139.09 19.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.516 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.585 ' SD ' ' CD1' ' A' ' 158' ' ' PHE . 9.2 ttm -49.8 148.4 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.634 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.09 156.16 29.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.683 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.466 ' C ' ' CD1' ' A' ' 155' ' ' TYR . 11.6 t80 -43.35 -47.92 6.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.789 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.74 -46.16 77.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.574 -179.872 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . 0.521 ' OE2' ' CE1' ' A' ' 125' ' ' PHE . 14.1 mt-10 -64.84 -41.61 95.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.727 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.585 ' CD1' ' SD ' ' A' ' 153' ' ' MET . 4.9 m-85 -51.99 -49.06 64.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.444 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 13.6 ttpt -57.28 -59.58 4.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -43.03 -40.72 3.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.895 -179.771 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 165' ' ' PHE . 93.4 m -76.71 -64.32 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.883 -179.635 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 162' ' ' TRP . . . . . 0.488 ' CD1' ' C ' ' A' ' 162' ' ' TRP . 1.1 t-105 -44.33 -31.51 1.06 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.978 0.418 . . . . 0.0 110.584 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.13 -46.68 12.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.377 -179.761 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 30.7 m -86.91 -50.32 6.77 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -178.492 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.523 ' N ' ' O ' ' A' ' 161' ' ' CYS . 6.1 m-85 -74.54 12.8 0.71 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.489 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -150.16 137.54 13.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.526 179.588 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . 0.468 ' C ' ' H ' ' A' ' 169' ' ' GLN . 0.0 OUTLIER -69.85 65.99 0.24 Allowed 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.717 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.694 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -56.23 -8.23 0.46 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.609 -179.188 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . 0.468 ' H ' ' C ' ' A' ' 167' ' ' ASP . 25.7 mm-40 40.2 22.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.631 179.758 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . 0.694 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 100.34 32.66 5.42 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -179.742 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . 0.521 ' N ' ' O ' ' A' ' 168' ' ' HIS . 9.2 t -116.31 84.56 14.49 Favored Pre-proline 0 C--N 1.331 -0.227 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 -179.871 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -47.95 164.28 0.18 Allowed 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 122.326 2.017 . . . . 0.0 112.195 -179.633 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -51.78 149.68 4.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.999 -179.459 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -116.95 85.99 18.83 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.344 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -77.14 131.9 12.25 Favored 'Trans proline' 0 C--N 1.314 -1.266 0 C-N-CA 122.068 1.846 . . . . 0.0 112.195 -179.519 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 13.2 p90 -100.18 167.4 10.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.632 -179.811 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.73 116.04 9.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.609 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 125.89 -27.71 5.08 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.0 tt -43.05 -33.72 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.33 . . . . 0.0 110.533 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -66.89 -60.9 2.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.482 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -55.14 -47.2 75.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.424 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 182' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 185' ' ' ALA . 68.8 m-70 -55.27 -62.56 1.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.539 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 39.4 p -43.87 -33.62 1.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.489 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -68.68 -35.45 77.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.431 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 182' ' ' HIS . . . -66.18 -48.23 71.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.438 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . 0.452 ' CD2' ' N ' ' A' ' 186' ' ' LEU . 4.2 mm? -53.07 -47.34 68.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.032 179.745 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -27.07 68.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.106 179.604 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -68.16 -29.04 73.15 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.755 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 10.2 mtt85 -77.69 -61.72 1.9 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.85 0.357 . . . . 0.0 110.424 179.84 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.5 tt -54.29 -44.92 72.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.406 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -60.57 -43.1 97.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.601 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -49.25 -52.43 27.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.557 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . 0.421 ' CD1' ' N ' ' A' ' 193' ' ' ILE . 1.6 mp -61.22 -56.6 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.489 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.3 mt -53.95 -16.96 2.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.483 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -137.14 91.85 2.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.514 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 196' ' ' ASN . . . . . 0.509 ' C ' ' H ' ' A' ' 198' ' ' GLY . 0.6 OUTLIER -100.45 176.93 5.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.691 -179.945 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 59.74 2.31 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.641 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . 0.509 ' H ' ' C ' ' A' ' 196' ' ' ASN . . . -104.37 81.04 0.32 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 61.6 t30 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.563 -179.988 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.428 ' N ' ' SD ' ' A' ' 1' ' ' MET . 2.6 mpt? . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -82.0 79.84 8.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.473 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.41 17.35 1.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.557 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.7 t 61.22 60.47 3.11 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.653 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -74.03 153.88 47.19 Favored 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.698 2.265 . . . . 0.0 112.242 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -102.66 -165.79 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.588 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.3 m -136.88 -148.43 0.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.565 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 179.39 68.1 0.07 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -50.21 117.13 2.9 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.836 2.357 . . . . 0.0 112.13 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.2 tpt180 -161.02 96.96 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.527 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 46.93 86.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.486 -179.818 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.605 ' CD2' ' N ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -107.1 173.23 6.41 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.842 -179.96 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.6 ptp -91.14 163.03 14.42 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.228 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -69.58 146.05 95.69 Favored Pre-proline 0 CA--C 1.535 0.385 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.745 -179.353 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.42 ' O ' ' OG1' ' A' ' 19' ' ' THR . 88.1 Cg_exo -40.32 -49.19 3.98 Favored 'Trans proline' 0 N--CA 1.49 1.296 0 C-N-CA 122.296 1.997 . . . . 0.0 112.004 179.342 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.559 ' CG ' ' N ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -61.01 -54.33 46.19 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.408 -179.938 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.559 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 3.7 mm -48.58 -30.09 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.642 -179.692 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -81.77 -51.89 7.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.531 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -55.51 -33.69 63.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.444 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 16' ' ' HIS . 0.4 OUTLIER -72.59 -50.06 28.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.498 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.503 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 26.5 m120 -67.18 -11.71 58.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.507 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -133.22 26.09 4.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.527 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 19' ' ' THR . 0.2 OUTLIER -67.02 -14.37 62.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.556 -179.911 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.508 ' OD1' ' NH1' ' A' ' 128' ' ' ARG . 0.6 OUTLIER 63.88 128.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.453 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.621 ' N ' HH11 ' A' ' 128' ' ' ARG . . . 76.0 64.83 2.14 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 pp -101.64 -175.85 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.802 0.334 . . . . 0.0 110.593 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -154.46 2.45 0.22 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.86 166.77 11.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.731 0.301 . . . . 0.0 110.512 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -100.96 93.07 5.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.545 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -173.09 52.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.361 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.2 p -46.85 162.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.987 -179.75 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.503 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -128.07 139.0 52.77 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.373 179.881 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.43 ' C ' ' CD2' ' A' ' 33' ' ' LEU . 6.3 tt -136.55 120.7 17.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.452 -179.763 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.73 110.28 19.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.245 179.632 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -92.93 134.5 35.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.82 -179.6 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -126.19 129.78 49.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.534 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.2 t -101.56 125.78 55.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.641 -179.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -133.05 127.12 33.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.523 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.5 ttm-85 -86.86 142.99 27.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.379 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mp -99.29 139.62 34.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.65 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -143.27 99.58 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.556 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.425 ' C ' ' H ' ' A' ' 44' ' ' THR . 52.0 m-20 49.54 53.36 12.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.58 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.31 -27.1 2.85 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.425 ' H ' ' C ' ' A' ' 42' ' ' ASN . 2.0 m -69.68 120.93 16.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.783 0.325 . . . . 0.0 110.562 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.5 p -100.24 113.56 26.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.662 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.3 t -113.27 123.18 68.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.424 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.483 ' CD ' ' H ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -81.98 153.35 26.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.711 -179.842 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -102.95 147.01 27.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.52 179.899 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.512 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 17.1 p-10 -93.99 -50.17 5.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.551 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.3 61.32 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.436 179.916 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -170.27 25.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 -179.85 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -131.3 164.67 25.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.479 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -178.8 -175.39 45.81 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -149.21 164.09 35.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 110.812 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.8 mt -143.42 178.34 7.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.498 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.428 ' O ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -129.35 138.02 51.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.564 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' A' ' 56' ' ' HIS . 0.8 OUTLIER -45.07 171.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.608 179.944 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -83.73 113.76 21.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.59 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.59 -144.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.583 179.876 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.8 tptt -83.94 134.38 34.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.515 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -174.94 108.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.526 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.17 -0.54 22.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.481 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.9 mp -50.3 -49.75 52.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.539 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 7.1 t -103.23 -3.91 25.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.544 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 104.44 34.32 3.65 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.501 ' O ' ' CG ' ' A' ' 66' ' ' PHE . 23.9 t80 53.26 85.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.7 0.286 . . . . 0.0 110.72 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -117.34 119.96 36.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.558 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -82.93 85.11 1.52 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.8 mtm-85 -103.66 135.97 44.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 0.0 110.788 -179.907 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.487 ' C ' ' H ' ' A' ' 72' ' ' GLU . 2.1 t60 -65.38 131.5 46.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.437 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -47.3 -15.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.436 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.487 ' H ' ' C ' ' A' ' 70' ' ' HIS . 2.5 tt0 -61.11 -57.42 12.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.584 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.0 mt -50.25 -46.58 54.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.593 -179.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -56.36 -34.86 67.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.532 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -77.42 -42.72 35.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.537 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.2 mt -68.34 -20.15 64.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.655 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -78.19 -24.41 47.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 -179.538 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.423 ' C ' ' CD1' ' A' ' 78' ' ' LEU . 4.1 pp -109.52 6.02 23.71 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.798 0.332 . . . . 0.0 110.929 -179.76 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.591 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -64.1 -41.21 60.25 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.749 179.907 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 23.7 Cg_exo -60.88 -19.17 60.95 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.356 2.037 . . . . 0.0 112.006 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.2 m -66.99 -24.83 66.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.587 -179.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.8 mt -73.57 -18.88 61.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.531 -179.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 56.11 45.58 23.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.452 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.6 mt -41.27 154.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.598 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.504 ' C ' ' H ' ' A' ' 87' ' ' ALA . 9.2 m-20 -116.69 85.03 16.22 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.508 179.913 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -49.84 -7.88 0.1 Allowed 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.331 2.021 . . . . 0.0 112.277 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.504 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -52.2 -17.28 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.477 179.875 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -139.83 -175.17 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.477 179.899 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.0 mm -92.54 155.32 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.605 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -145.03 168.81 19.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.672 -179.88 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -147.63 109.96 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.357 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.72 125.87 62.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.537 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 54.8 m -128.47 128.45 44.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.344 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.503 ' CD1' ' N ' ' A' ' 94' ' ' TRP . 1.7 m0 -105.73 132.27 52.07 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.862 179.862 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -96.16 102.61 14.43 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 177.777 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.87 144.46 16.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.057 0.456 . . . . 0.0 112.051 -177.563 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 0.1 OUTLIER -96.94 -17.82 19.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.178 179.184 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 23.9 m95 -115.26 143.68 44.88 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.538 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.22 156.96 90.09 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -42.08 163.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.312 0 C-N-CA 122.253 1.968 . . . . 0.0 112.263 179.638 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.3 p -112.17 -52.09 2.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.142 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.52 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.2 OUTLIER -135.98 113.31 10.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.761 179.597 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 108' ' ' GLY . 2.3 m -43.66 -33.03 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.913 -179.683 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -84.52 -21.33 30.58 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.968 -179.747 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -86.15 -63.79 1.5 Allowed Glycine 0 CA--C 1.527 0.797 0 C-N-CA 120.394 -0.908 . . . . 0.0 110.965 179.847 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.3 m -79.2 -69.23 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.724 0.297 . . . . 0.0 111.053 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.48 -24.47 55.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.534 -179.746 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -67.87 -58.95 6.94 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 179.653 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -60.12 -22.08 62.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.879 0.371 . . . . 0.0 110.488 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 57.3 t -71.03 -62.83 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.791 -179.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.557 ' NH2' ' CE ' ' A' ' 142' ' ' MET . 3.5 ptp180 -58.01 -38.04 75.42 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.215 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -53.36 -49.4 67.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.37 179.767 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 117' ' ' ASN . 1.3 t80 -55.41 -53.28 58.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.607 179.897 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.42 ' CD2' ' O ' ' A' ' 120' ' ' VAL . 86.7 mt -58.88 -48.97 79.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.716 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -46.56 -35.75 6.12 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.345 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.417 ' O ' ' OD1' ' A' ' 117' ' ' ASN . 22.7 mt-10 -110.17 5.2 21.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.13 -179.882 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.499 ' C ' ' H ' ' A' ' 119' ' ' HIS . 28.6 m-80 -153.65 46.56 0.64 Allowed 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.952 -179.883 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 76.5 p -51.43 -10.59 0.1 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.713 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.502 ' O ' ' CG ' ' A' ' 119' ' ' HIS . 0.1 OUTLIER -79.91 9.91 4.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.619 -179.919 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.42 ' O ' ' CD2' ' A' ' 114' ' ' LEU . 74.2 t -126.9 129.54 71.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.481 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.492 ' CZ ' HH22 ' A' ' 123' ' ' ARG . 25.6 mtp180 -92.14 112.68 24.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.424 179.892 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.27 134.02 42.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.456 -179.795 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.492 HH22 ' CZ ' ' A' ' 121' ' ' ARG . 45.5 mtt-85 -131.84 133.14 44.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.567 179.899 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 28.5 mm -106.04 121.56 58.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.454 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -110.61 97.84 7.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.552 -179.821 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -90.34 108.24 19.65 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.181 179.675 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -84.58 -44.16 13.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.769 -179.673 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.621 HH11 ' N ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -132.31 138.82 47.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.866 0.365 . . . . 0.0 110.482 -179.917 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.3 mt -98.63 117.43 43.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.659 -179.893 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -157.59 118.86 3.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.483 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.3 -167.74 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.491 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -104.9 -63.01 1.26 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.614 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.511 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -99.69 162.6 20.62 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.434 -179.857 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -69.92 21.18 0.18 Allowed 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.599 2.199 . . . . 0.0 112.15 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.511 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.3 mt -57.07 -25.32 58.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.553 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.462 ' CD1' ' N ' ' A' ' 137' ' ' LYS . 0.6 OUTLIER -56.3 -20.61 19.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.516 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.462 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 16.5 tttm -67.47 -60.21 2.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.449 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.03 -30.51 62.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.494 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.24 -56.06 24.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.526 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.9 mp -51.17 -44.73 61.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.494 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -60.71 3.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.666 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.557 ' CE ' ' NH2' ' A' ' 111' ' ' ARG . 13.3 mtp -54.7 -26.23 32.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.543 -179.901 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.57 -60.85 3.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.473 179.769 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -55.82 -42.19 75.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.614 -179.891 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.35 -6.25 13.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.592 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . 0.407 ' C ' ' H ' ' A' ' 148' ' ' ALA . . . -102.2 -4.68 25.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.587 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.33 -12.29 10.32 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . 0.407 ' H ' ' C ' ' A' ' 146' ' ' ALA . . . -56.79 161.68 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.848 0.356 . . . . 0.0 110.572 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . 0.471 ' OE1' ' NH1' ' A' ' 123' ' ' ARG . 3.0 tt0 -101.29 112.75 25.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.589 -179.932 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . 0.4 ' O ' ' CG1' ' A' ' 150' ' ' VAL . 8.0 p -111.46 125.38 68.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.544 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.5 m -153.18 161.92 41.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.593 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 3.5 mm -94.74 150.76 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.462 179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 11.0 ttm -52.14 152.36 3.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.75 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 12.2 t -136.27 -177.65 4.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.557 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -73.94 -41.53 61.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.778 -179.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.97 -60.92 2.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.827 -179.88 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.09 -25.16 44.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.62 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.555 ' CE1' ' CZ ' ' A' ' 173' ' ' PHE . 0.2 OUTLIER -64.02 -57.96 8.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.805 0.336 . . . . 0.0 110.658 -179.755 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -53.92 -45.82 71.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.093 -179.855 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.538 ' CD2' ' N ' ' A' ' 161' ' ' CYS . 0.3 OUTLIER -68.79 -58.19 4.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.786 0.326 . . . . 0.0 110.867 -179.595 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.538 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 18.0 t -55.61 -23.6 28.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.761 -179.872 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 162' ' ' TRP . . . . . 0.59 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 8.0 t-105 -71.69 -70.51 0.32 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.924 -179.666 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . 0.59 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 1.0 OUTLIER -62.85 -14.35 44.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.248 -179.472 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 90.3 m -84.79 -25.25 28.3 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.962 -179.709 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -121.3 19.34 11.43 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.882 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.546 ' C ' ' H ' ' A' ' 168' ' ' HIS . 96.3 t -142.7 135.5 26.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.896 0.379 . . . . 0.0 110.785 179.855 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . 0.508 ' C ' ' H ' ' A' ' 169' ' ' GLN . 4.0 p30 -73.94 38.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.731 179.519 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.647 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.2 OUTLIER -47.69 -13.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.334 -179.982 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . 0.508 ' H ' ' C ' ' A' ' 167' ' ' ASP . 14.7 mm-40 46.01 12.69 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.976 179.74 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . 0.647 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 124.67 29.63 1.04 Allowed Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 179.588 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . 0.642 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.0 OUTLIER -113.4 92.28 22.64 Favored Pre-proline 0 CA--C 1.538 0.498 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.689 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -47.96 154.02 2.37 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.157 1.905 . . . . 0.0 112.275 -179.479 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . 0.555 ' CZ ' ' CE1' ' A' ' 158' ' ' PHE . 37.6 t80 -55.82 149.58 14.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.735 -179.726 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -111.71 96.35 32.37 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.691 -179.605 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -78.63 145.16 20.34 Favored 'Trans proline' 0 N--CA 1.487 1.143 0 C-N-CA 121.906 1.737 . . . . 0.0 112.042 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 176' ' ' TRP . . . . . 0.674 ' HE1' ' CD2' ' A' ' 182' ' ' HIS . 0.9 OUTLIER -81.28 179.07 8.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.53 -179.848 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . 0.45 ' N ' ' OD1' ' A' ' 177' ' ' ASP . 30.7 p-10 -92.5 85.68 5.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.653 -179.892 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 144.48 40.56 0.06 OUTLIER Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . 0.42 ' O ' ' OG ' ' A' ' 183' ' ' SER . 0.8 OUTLIER -70.73 -50.47 35.81 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.829 -179.425 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -61.62 -24.08 66.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.391 . . . . 0.0 110.462 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -70.02 -61.78 1.64 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.977 -179.88 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 182' ' ' HIS . . . . . 0.674 ' CD2' ' HE1' ' A' ' 176' ' ' TRP . 3.8 p80 -71.51 -37.35 71.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.92 -179.598 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 183' ' ' SER . . . . . 0.553 ' N ' ' ND1' ' A' ' 182' ' ' HIS . 36.8 m -61.88 -57.7 10.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.6 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -33.63 67.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.509 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -54.43 -57.61 10.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.497 179.924 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 40.3 mt -65.43 -47.32 76.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.651 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.13 -39.12 63.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.647 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -63.46 -48.17 80.73 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -52.32 -57.46 9.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 0.0 110.585 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -45.18 -55.2 6.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.428 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -50.95 -31.74 18.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.477 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . 0.468 ' O ' ' CG ' ' A' ' 195' ' ' GLN . . . -65.38 -40.12 93.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.545 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . 0.511 ' C ' ' H ' ' A' ' 195' ' ' GLN . 1.7 mp -68.98 -37.56 77.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.542 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 60.2 mt -69.65 9.73 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.641 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . 0.511 ' H ' ' C ' ' A' ' 193' ' ' ILE . 13.3 mm100 -74.34 -53.05 10.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.556 179.937 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 196' ' ' ASN . . . . . 0.436 ' C ' ' NE2' ' A' ' 197' ' ' GLN . 11.2 t30 -93.96 130.75 39.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.505 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . 0.436 ' NE2' ' C ' ' A' ' 196' ' ' ASN . 1.1 mp0 -132.9 -14.49 2.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.566 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 102.77 23.61 8.64 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.936 -1.03 . . . . 0.0 110.499 -179.978 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 mtm . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -96.71 -72.29 0.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.526 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 47.21 -98.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.532 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.98 162.61 20.48 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.499 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -69.62 -65.77 0.04 OUTLIER 'Trans proline' 0 C--N 1.308 -1.56 0 C-N-CA 122.537 2.158 . . . . 0.0 112.108 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.49 99.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.53 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 83.6 p -102.07 69.01 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.585 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 167.8 -61.01 0.21 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_exo -45.78 96.89 0.03 OUTLIER 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.76 2.307 . . . . 0.0 112.137 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -149.5 109.6 4.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.54 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.455 ' CD2' ' N ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER -162.26 76.65 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.582 -179.997 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.5 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 7.0 mp -95.2 172.99 7.78 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.228 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -68.66 147.01 52.49 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.459 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.7 OUTLIER -70.36 146.73 94.62 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.556 -179.487 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.431 ' O ' ' OG1' ' A' ' 19' ' ' THR . 85.7 Cg_exo -39.41 -49.09 3.2 Favored 'Trans proline' 0 N--CA 1.488 1.202 0 C-N-CA 122.251 1.967 . . . . 0.0 111.992 179.575 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -67.86 -47.91 67.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.043 -179.689 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.3 mm -54.53 -37.72 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.695 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -72.19 -60.96 1.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.734 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.7 OUTLIER -54.81 -28.63 50.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.53 -179.953 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 m -65.79 -52.36 51.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.44 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.55 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 18.8 m120 -57.1 -39.79 75.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.533 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -98.96 31.13 3.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.691 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -71.61 71.64 0.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.447 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 42.21 -137.79 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.429 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -82.73 137.92 17.42 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.866 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.621 ' CD1' ' HE1' ' A' ' 98' ' ' TRP . 0.7 OUTLIER -136.03 166.91 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 0.0 110.58 -179.865 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -99.59 -29.57 6.93 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 179.809 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.716 ' HE ' ' N ' ' A' ' 29' ' ' HIS . 0.0 OUTLIER -73.35 131.6 42.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 0.0 110.123 179.775 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.716 ' N ' ' HE ' ' A' ' 28' ' ' ARG . 47.4 p-80 -71.65 44.08 0.1 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.339 179.719 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.473 ' H ' ' C ' ' A' ' 28' ' ' ARG . 8.2 tttm -71.46 41.78 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.244 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.529 ' H ' ' C ' ' A' ' 29' ' ' HIS . 2.2 p -46.99 114.71 0.9 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.62 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.55 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -106.02 141.9 36.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.39 179.856 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.8 tp -135.58 109.63 8.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.522 -179.489 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.68 113.59 27.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.143 179.423 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 16.6 p90 -102.17 146.81 27.43 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.945 0.403 . . . . 0.0 111.236 -179.495 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.423 ' O ' ' OE2' ' A' ' 38' ' ' GLU . 0.2 OUTLIER -146.72 129.76 16.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.35 179.939 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.6 t -98.57 132.72 43.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-O 121.034 0.445 . . . . 0.0 110.626 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.496 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 0.9 OUTLIER -134.39 121.23 20.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.362 179.799 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -82.79 141.39 32.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.492 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mp -102.04 143.1 32.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.606 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.51 100.77 3.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.611 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.513 ' C ' ' H ' ' A' ' 44' ' ' THR . 11.0 m120 48.14 57.45 6.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.655 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.79 -27.07 0.93 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.513 ' H ' ' C ' ' A' ' 42' ' ' ASN . 0.2 OUTLIER -74.51 103.76 4.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.824 0.345 . . . . 0.0 110.585 -179.959 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.2 m -76.24 143.59 40.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.505 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.1 t -136.27 98.44 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.575 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.4 pttm -75.08 135.13 41.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.493 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.3 mmt -82.33 144.61 30.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.551 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -84.39 -50.52 7.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.684 -179.9 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.62 68.96 4.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.951 179.578 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.409 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 11.5 t-80 -163.88 14.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.513 -179.213 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -100.6 127.96 46.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.642 -179.701 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -148.41 158.21 27.59 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.533 -1.027 . . . . 0.0 110.533 179.839 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.527 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 4.1 p90 -140.65 142.14 35.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.93 0.395 . . . . 0.0 110.846 -179.756 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.2 mt -127.91 178.49 6.14 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.511 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -144.15 155.72 44.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.4 179.859 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.473 ' OD1' ' N ' ' A' ' 58' ' ' GLN . 15.9 t30 -71.24 147.88 47.78 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.45 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.473 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 65.61 147.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.271 -179.801 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.422 ' N ' ' CD ' ' A' ' 58' ' ' GLN . . . -163.84 52.92 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.671 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 62' ' ' LEU . 44.5 mttt 43.89 -97.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.602 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.51 ' C ' ' H ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER 40.97 25.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.617 -179.939 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 60' ' ' LYS . 1.1 mt -51.26 -10.21 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.491 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.51 ' H ' ' C ' ' A' ' 61' ' ' ASN . 2.3 mm? -72.39 -50.97 22.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.449 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 86.4 m -102.21 -2.54 29.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.554 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.72 39.02 96.35 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.07 16.8 3.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.608 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.513 ' O ' ' NH1' ' A' ' 69' ' ' ARG . 33.0 p90 -102.94 161.68 13.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.588 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.41 -8.54 41.02 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.513 ' NH1' ' O ' ' A' ' 67' ' ' TYR . 21.4 mmt-85 -93.13 143.95 25.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.715 0.293 . . . . 0.0 110.594 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -74.93 152.38 38.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.699 -179.928 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.19 -27.24 13.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.404 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.434 ' OE2' ' SG ' ' A' ' 106' ' ' CYS . 39.3 mt-10 -63.75 -43.09 97.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.314 179.893 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 39.4 mt -66.69 -57.07 7.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.252 179.698 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -27.22 10.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.163 179.61 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.456 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 31.3 t80 -84.6 -40.16 17.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.379 179.784 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 tp -57.67 -21.1 38.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.472 179.832 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.04 -20.89 37.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.448 179.913 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.442 ' CD2' ' C ' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -84.17 -33.65 24.16 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.2 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.407 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 4.6 t -46.17 -59.75 4.46 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.31 -179.836 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.407 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 6.5 Cg_endo -49.75 -17.07 1.79 Allowed 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 121.89 1.727 . . . . 0.0 112.229 179.803 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 t -69.73 -30.42 68.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.569 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.423 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 3.9 mm? -83.77 -39.4 20.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.471 179.695 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 58.45 41.01 23.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.702 -178.806 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.4 mt -38.66 107.23 0.06 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.52 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -41.61 105.28 0.39 Allowed Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.643 -179.711 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -48.11 -19.97 1.95 Allowed 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 121.829 1.686 . . . . 0.0 112.101 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.55 -88.73 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.644 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.535 ' H ' ' CD ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -63.58 167.5 5.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.437 -179.86 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.2 mm -84.95 158.13 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.507 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -139.62 177.97 7.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.759 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.496 ' NH1' ' OE1' ' A' ' 38' ' ' GLU . 41.7 ttp85 -156.86 108.81 2.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.527 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.4 t -93.61 118.65 39.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.138 179.565 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.416 ' OG1' ' OE1' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -93.95 122.16 36.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.557 -179.766 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.424 ' CH2' ' CG2' ' A' ' 110' ' ' VAL . 7.2 m0 -106.79 132.26 52.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.707 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.587 ' CG ' ' SG ' ' A' ' 161' ' ' CYS . 53.3 m-85 -125.92 103.14 7.6 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.614 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.37 143.7 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.776 -178.416 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.4 p -96.98 -33.69 11.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.099 179.388 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.621 ' HE1' ' CD1' ' A' ' 26' ' ' ILE . 7.6 m95 -111.85 136.66 50.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.265 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.03 157.7 1.37 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.916 -179.768 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.34 173.18 14.18 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 122.668 2.246 . . . . 0.0 112.215 179.5 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.629 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 1.8 p -103.49 -153.98 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.452 179.877 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.629 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.2 OUTLIER -36.88 113.02 0.22 Allowed 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.407 0.623 . . . . 0.0 109.932 179.466 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 108' ' ' GLY . 83.9 p -40.24 -24.9 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.907 -179.783 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.47 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.2 OUTLIER -86.1 -24.9 26.09 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.973 -179.109 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.4 -63.73 1.55 Allowed Glycine 0 CA--C 1.526 0.77 0 C-N-CA 120.32 -0.943 . . . . 0.0 110.874 -179.866 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . 0.434 ' SG ' ' OE2' ' A' ' 72' ' ' GLU . 2.1 m -78.87 -69.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.37 . . . . 0.0 111.052 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.26 -22.4 63.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 -179.693 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -71.43 -63.05 3.21 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -46.97 -35.25 6.35 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.716 179.599 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.424 ' CG2' ' CH2' ' A' ' 94' ' ' TRP . 29.3 t -72.83 -56.22 10.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.325 179.522 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -49.09 -53.34 21.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.064 179.813 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.84 -42.07 64.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.135 179.682 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 117' ' ' ASN . 27.8 t80 -65.58 -32.61 74.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.693 179.859 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 mt -71.68 -58.91 3.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.728 -179.837 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -13.57 48.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.643 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -103.21 -26.74 12.87 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.658 179.718 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.552 ' C ' ' H ' ' A' ' 119' ' ' HIS . 4.2 m120 -138.11 49.47 1.94 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.865 -179.867 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.2 t -60.95 4.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.31 -179.761 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.552 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.1 OUTLIER -75.58 2.04 12.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.012 0.434 . . . . 0.0 110.16 179.8 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.7 p -128.86 147.36 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.251 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.03 110.44 21.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.359 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.07 112.18 24.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.5 -179.801 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 23.5 mtt-85 -116.21 117.69 30.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.03 179.679 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 5.0 mt -105.19 135.94 41.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.078 -179.368 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -129.13 98.12 4.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.718 179.561 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -82.37 114.84 21.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.985 179.571 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -82.44 -37.41 25.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.687 -179.737 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.67 145.77 32.71 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.95 179.877 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.6 mt -101.54 110.17 27.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.41 179.833 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -154.96 114.7 3.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.709 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -152.92 -147.04 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.367 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -106.8 -64.38 1.19 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.65 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.493 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.2 OUTLIER -104.0 161.35 23.2 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.463 -179.91 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.525 ' C ' ' H ' ' A' ' 136' ' ' TYR . 41.4 Cg_endo -70.2 17.8 0.22 Allowed 'Trans proline' 0 C--N 1.31 -1.492 0 C-N-CA 122.559 2.172 . . . . 0.0 111.9 179.835 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.493 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.3 mt -53.97 -7.41 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.625 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.525 ' H ' ' C ' ' A' ' 134' ' ' PRO . 0.5 OUTLIER -61.13 -32.04 71.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.659 179.924 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -70.28 -62.13 1.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.518 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -50.12 -23.62 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.348 179.868 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -75.02 -43.49 53.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.424 179.78 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.31 -30.74 68.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.254 179.74 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.72 -56.27 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.664 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -31.57 66.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.607 -179.852 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 40.7 tp -82.09 -40.94 21.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.468 -179.853 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.32 -38.31 58.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.518 179.898 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -64.33 -8.2 12.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.559 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -95.31 -13.45 24.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.623 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 97.7 -26.96 21.03 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -42.16 139.43 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.67 0.271 . . . . 0.0 110.637 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -93.68 112.64 24.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.638 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.34 109.88 30.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.554 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.69 161.91 36.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.554 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . 0.483 ' CD1' ' N ' ' A' ' 152' ' ' ILE . 1.5 mp -82.21 137.9 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.462 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 22.5 mmm -41.42 125.26 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.7 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 67.4 p -106.78 152.87 23.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.562 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -41.79 -54.15 3.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.507 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.04 -60.14 3.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.506 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -53.17 -31.17 41.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.539 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.86 -61.37 2.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.516 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -42.27 -47.8 4.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.103 -179.799 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.598 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.58 -58.02 4.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.192 -179.432 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.598 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 7.9 t -54.23 -23.54 15.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.639 -179.78 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 162' ' ' TRP . . . . . 0.634 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 4.1 t-105 -72.09 -70.15 0.35 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.552 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . 0.634 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.6 OUTLIER -61.48 -36.28 80.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.889 0.376 . . . . 0.0 110.782 -179.736 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 94.3 m -59.18 -27.04 65.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.268 -179.586 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -121.34 15.69 11.35 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.533 -179.374 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.545 ' C ' ' H ' ' A' ' 168' ' ' HIS . 63.2 t -130.05 138.98 52.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.894 0.378 . . . . 0.0 111.002 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -76.78 34.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.173 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.592 ' CD2' ' N ' ' A' ' 169' ' ' GLN . 21.1 p-80 -37.48 -44.04 0.63 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.547 -179.805 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . 0.592 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 8.9 mm100 40.58 21.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.923 179.881 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 168' ' ' HIS . . . 136.63 14.31 0.91 Allowed Glycine 0 CA--C 1.528 0.887 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.706 179.706 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 1.2 m -125.26 81.05 64.12 Favored Pre-proline 0 C--N 1.332 -0.174 0 CA-C-O 120.697 0.284 . . . . 0.0 110.297 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -51.83 172.33 0.14 Allowed 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.712 2.275 . . . . 0.0 112.316 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -53.51 149.74 7.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.747 -179.881 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -113.96 87.13 12.22 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.717 -179.709 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -79.65 131.34 9.25 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 C-N-CA 122.096 1.864 . . . . 0.0 112.051 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 14.8 p90 -100.88 173.69 6.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.6 -179.875 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -77.0 93.0 3.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.519 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 148.15 -18.12 1.36 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.6 tp -47.0 -35.01 6.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 110.556 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -59.36 2.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.535 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -46.32 -53.53 10.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.648 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -55.9 -47.41 77.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.599 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.62 -36.95 72.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.589 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -68.58 -34.15 75.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.633 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -62.8 -65.21 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.593 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . 0.434 ' N ' ' CD1' ' A' ' 186' ' ' LEU . 10.4 mp -56.14 -45.6 79.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.568 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 49.0 m -55.85 -39.25 71.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.466 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -63.21 -36.65 93.71 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 10.2 ttt85 -60.23 -61.65 2.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.332 . . . . 0.0 110.496 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.7 tt -47.28 -47.38 25.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.563 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -50.7 -42.26 56.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.593 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -59.19 -52.0 67.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . 0.407 ' N ' ' CD1' ' A' ' 193' ' ' ILE . 1.7 mp -53.97 -49.89 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.446 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.8 mp -56.01 -35.75 67.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.564 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 196' ' ' ASN . 7.5 tp60 -69.25 -5.83 25.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.504 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 196' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 195' ' ' GLN . 2.2 t-20 51.87 101.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.617 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 41.7 79.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.59 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -47.29 -74.38 0.25 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.482 -179.877 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 46.36 89.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.583 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.36 -37.01 0.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.564 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.578 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -71.19 -43.82 13.22 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 4' ' ' SER . 32.1 Cg_exo -58.56 -169.09 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 122.464 2.11 . . . . 0.0 112.025 -179.871 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 60.9 121.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.608 -179.922 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.88 -60.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.509 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.95 178.14 46.86 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -73.12 157.79 50.13 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.843 2.362 . . . . 0.0 112.08 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 ptt-85 -150.66 176.32 11.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.641 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.506 ' CD2' ' N ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER -163.87 91.2 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.558 -179.931 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.634 ' CD2' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -106.05 175.24 5.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.778 -179.754 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 35.6 mtm -60.5 165.32 3.8 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.54 -179.154 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.48 155.6 51.13 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.706 -179.381 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.428 ' O ' ' OG1' ' A' ' 19' ' ' THR . 74.1 Cg_exo -39.73 -55.54 1.63 Allowed 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 122.576 2.184 . . . . 0.0 112.435 179.704 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -62.79 -54.31 40.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.272 -179.474 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.3 mm -48.5 -29.94 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.631 -179.565 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -81.1 -57.73 3.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.693 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.514 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -51.33 -49.1 62.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.495 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -63.86 -43.65 95.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.514 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.588 HD22 ' CB ' ' A' ' 32' ' ' TYR . 16.5 t30 -64.44 -23.61 67.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.506 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -118.5 15.33 13.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.421 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.514 ' N ' ' O ' ' A' ' 19' ' ' THR . 0.7 OUTLIER -56.64 108.17 0.46 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.657 -179.952 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -43.97 137.45 3.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.608 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.27 96.74 0.09 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 pt -140.31 171.59 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 110.595 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -158.95 61.54 0.31 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.526 ' O ' ' CZ2' ' A' ' 98' ' ' TRP . 0.1 OUTLIER -140.37 152.42 45.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.521 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -91.07 81.02 5.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.434 179.903 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.3 tttm -167.03 42.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.513 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.449 ' OG1' ' CD1' ' A' ' 98' ' ' TRP . 10.9 t -46.5 150.97 0.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.993 -179.837 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.588 ' CB ' HD22 ' A' ' 21' ' ' ASN . 1.2 m-85 -108.05 147.46 31.13 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.422 179.722 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.425 ' C ' ' CD2' ' A' ' 33' ' ' LEU . 5.6 tt -136.84 114.33 10.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.493 -179.889 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.32 110.46 22.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.229 179.59 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.56 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 5.7 p90 -101.08 134.41 44.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.065 -179.722 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 1.8 tm-20 -123.51 152.86 41.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.057 179.855 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.422 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 30.2 t -119.4 123.21 70.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.871 0.367 . . . . 0.0 110.767 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.43 ' CD ' ' HG1' ' A' ' 93' ' ' THR . 2.8 mp0 -133.39 121.89 22.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.425 179.983 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -98.11 144.84 27.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.61 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 22.8 mt -93.98 156.88 16.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.577 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -155.83 101.63 2.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.497 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 62.71 23.37 13.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.547 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 99.39 -6.85 59.58 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.5 m -91.61 124.38 35.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.763 0.316 . . . . 0.0 110.613 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.418 ' O ' ' OG ' ' A' ' 45' ' ' SER . 1.4 p -89.13 110.32 21.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.55 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 57.6 t -105.02 112.14 37.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.599 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -86.71 134.94 33.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.6 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.2 mtm -101.96 141.09 35.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.529 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.8 -50.28 6.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.574 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -79.25 53.25 1.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.449 179.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -169.18 46.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.528 -179.873 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.44 170.84 21.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.689 -179.882 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -173.3 -170.8 37.29 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.826 -0.909 . . . . 0.0 110.826 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -151.97 139.66 19.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.808 0.337 . . . . 0.0 110.729 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mp -136.15 174.23 10.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.529 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.567 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -131.05 157.63 42.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.483 179.898 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.445 ' O ' ' CB ' ' A' ' 58' ' ' GLN . 4.1 p-10 -78.27 -166.76 0.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.545 -179.912 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.445 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 7.1 tt0 78.9 -62.81 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.615 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 70.09 -163.8 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.524 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -137.9 15.48 2.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.53 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -100.35 31.71 3.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.581 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.19 -29.79 31.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.625 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.8 pp -65.76 -16.32 63.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.571 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.457 ' O ' ' SG ' ' A' ' 64' ' ' CYS . 13.4 t -82.52 -12.78 57.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.537 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.66 49.18 1.85 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -143.7 18.78 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 0.0 110.574 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -42.27 140.27 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.559 179.947 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.82 55.2 0.94 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 -105.09 135.24 46.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.766 0.317 . . . . 0.0 110.598 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -87.41 163.45 16.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.605 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -82.02 -37.96 25.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.572 179.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -61.48 -42.32 98.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.584 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.0 mp -62.05 -60.01 4.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.221 179.8 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.92 -28.14 6.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.977 179.652 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.56 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 17.3 t80 -80.74 -38.23 29.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.323 179.757 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.1 tp -57.66 -22.88 48.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.007 179.678 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -67.25 -16.07 64.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.686 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.9 tt -93.72 -13.4 27.5 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.56 -178.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.542 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -60.22 -42.87 91.82 Favored Pre-proline 0 CA--C 1.533 0.307 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.256 -179.105 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 23.5 Cg_exo -60.31 -25.73 80.95 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.215 1.943 . . . . 0.0 112.031 179.811 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.73 -9.16 41.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.819 -179.931 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.5 mt -104.39 -49.56 3.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.481 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.5 49.76 8.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.722 179.752 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 53.6 mt -53.66 133.24 41.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.488 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.75 160.35 27.56 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.397 -179.818 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -70.08 -2.07 9.79 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.533 2.156 . . . . 0.0 112.269 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.61 -37.99 1.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.588 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -151.98 -166.91 2.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.592 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.4 mt -99.55 155.98 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.062 0.458 . . . . 0.0 110.796 -179.859 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -137.01 154.06 50.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.726 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -142.66 106.06 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.65 -179.872 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.7 t -89.1 127.17 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.049 179.568 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.43 ' HG1' ' CD ' ' A' ' 38' ' ' GLU . 0.9 OUTLIER -100.0 119.23 37.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.794 -179.715 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 16.4 m0 -100.35 131.71 46.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.057 0.456 . . . . 0.0 110.535 179.891 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.407 ' CG ' ' SG ' ' A' ' 161' ' ' CYS . 53.0 m-85 -123.38 103.11 8.28 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.638 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.32 142.23 23.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.673 -178.343 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 0.3 OUTLIER -87.94 -24.21 23.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.698 179.105 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.526 ' CZ2' ' O ' ' A' ' 28' ' ' ARG . 19.4 m95 -112.24 -178.32 3.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.191 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -105.97 164.4 15.06 Favored Pre-proline 0 C--N 1.332 -0.178 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.548 179.95 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.43 ' O ' ' O ' ' A' ' 99' ' ' SER . 57.0 Cg_exo -42.45 172.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 122.605 2.203 . . . . 0.0 112.3 179.601 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -126.08 -50.95 1.55 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.402 179.837 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 105' ' ' GLY . 2.1 t80 -139.36 105.49 5.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.118 179.656 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 36.8 t -42.08 -33.71 0.62 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.974 -179.578 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -84.78 -22.99 29.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.102 -179.612 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -84.76 -62.2 1.71 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -67.04 0.54 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.714 0.292 . . . . 0.0 110.743 -179.883 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.27 -29.19 31.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.694 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.49 -60.97 7.6 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 105' ' ' GLY . 2.0 mp0 -51.98 -59.75 3.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.836 0.351 . . . . 0.0 110.576 -179.932 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 40.7 t -52.46 -55.6 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.675 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 53.2 ttt-85 -42.33 -59.07 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.573 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -44.94 -47.03 11.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.553 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 117' ' ' ASN . 1.1 t80 -55.54 -62.36 1.73 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.604 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 62.9 mt -46.37 -50.24 16.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.741 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -46.66 -43.42 17.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.688 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.13 16.92 21.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.921 -179.888 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' A' ' 113' ' ' PHE . 29.2 m120 -148.22 31.1 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.803 179.878 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.412 ' C ' ' H ' ' A' ' 120' ' ' VAL . 0.0 OUTLIER -45.68 -22.93 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.607 -179.944 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.524 ' O ' ' CG ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -76.23 8.91 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.991 0.424 . . . . 0.0 110.38 179.812 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.482 ' N ' ' O ' ' A' ' 117' ' ' ASN . 43.1 t -132.09 116.43 29.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.428 179.833 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.3 147.07 23.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.549 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.38 112.59 13.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.979 -179.701 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.402 ' CD ' ' N ' ' A' ' 123' ' ' ARG . 0.1 OUTLIER -95.61 123.2 39.05 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.241 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.411 ' N ' ' CD1' ' A' ' 124' ' ' ILE . 1.6 mp -104.92 129.03 58.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.828 -179.29 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.52 ' CE1' ' OE1' ' A' ' 157' ' ' GLU . 64.8 m-85 -125.37 108.13 11.37 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.907 179.783 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -93.79 109.49 21.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.077 179.418 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.53 ' O ' ' NH2' ' A' ' 128' ' ' ARG . . . -76.97 -54.21 6.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.042 -179.562 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.599 ' CA ' ' HE ' ' A' ' 128' ' ' ARG . 0.0 OUTLIER -118.87 164.37 15.53 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.882 0.372 . . . . 0.0 110.73 -179.881 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 18.1 mt -137.89 112.68 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.613 -179.88 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -151.95 110.08 3.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.632 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.426 ' OD2' ' O ' ' A' ' 133' ' ' ASP . 12.4 p-10 -172.36 142.3 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.591 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -80.41 10.17 4.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.477 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.538 ' C ' ' H ' ' A' ' 135' ' ' LEU . 1.0 OUTLIER -121.07 81.93 36.44 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.497 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.524 ' O ' ' N ' ' A' ' 136' ' ' TYR . 52.0 Cg_exo -51.45 -4.76 0.1 OUTLIER 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 122.502 2.135 . . . . 0.0 112.325 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.538 ' H ' ' C ' ' A' ' 133' ' ' ASP . 2.6 mt -40.43 -22.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.677 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' A' ' 134' ' ' PRO . 0.0 OUTLIER -42.99 -33.45 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.584 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -56.06 -62.13 1.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.455 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -50.92 -32.67 21.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.275 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.47 -41.0 93.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.431 179.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.72 -47.1 83.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.413 179.78 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.98 -41.39 64.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.542 179.89 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.0 -31.41 71.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.461 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.9 mt -69.68 -56.94 5.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.634 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 16.3 mtp85 -45.16 -50.59 11.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.577 -179.833 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -52.88 -33.25 49.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.583 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.84 -17.92 60.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.613 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 100.42 -23.66 35.01 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -52.62 155.98 2.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.331 . . . . 0.0 110.668 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -98.9 135.81 39.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.496 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 3.2 t -126.77 123.56 63.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.589 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.15 162.01 41.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.581 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 3.3 mm -89.8 134.06 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.495 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.551 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 9.3 ttt -54.32 118.73 4.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.603 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 29.5 p -102.02 163.81 12.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.67 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -47.08 -47.99 22.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.644 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -53.32 -56.84 13.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.513 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . 0.52 ' OE1' ' CE1' ' A' ' 125' ' ' PHE . 22.4 mt-10 -54.29 -35.23 62.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.562 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.551 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.7 OUTLIER -63.82 -39.93 95.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.526 179.916 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -59.0 -49.59 77.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.523 ' CD2' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.63 -51.15 37.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.508 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.523 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 7.4 t -58.71 -23.53 59.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.682 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 162' ' ' TRP . . . . . 0.63 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 3.6 t-105 -72.46 -68.21 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.684 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . 0.63 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 1.3 p30 -64.34 -14.15 54.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.268 -179.465 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 99.9 m -86.61 -24.36 25.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.422 -179.396 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -121.08 15.96 11.58 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.551 0.215 . . . . 0.0 111.202 -179.588 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.563 ' C ' ' H ' ' A' ' 168' ' ' HIS . 92.1 t -134.46 127.47 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.748 179.44 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . 0.53 ' C ' ' H ' ' A' ' 169' ' ' GLN . 14.2 t70 -70.21 41.97 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.896 179.102 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.571 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.4 OUTLIER -54.12 -8.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.224 -179.953 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . 0.53 ' H ' ' C ' ' A' ' 167' ' ' ASP . 2.6 mt-30 56.9 3.64 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.821 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . 0.571 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 124.52 28.3 1.2 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 179.681 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . 0.507 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.0 OUTLIER -109.64 127.71 26.69 Favored Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.764 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -75.96 171.99 17.12 Favored 'Trans proline' 0 N--CA 1.493 1.47 0 C-N-CA 121.802 1.668 . . . . 0.0 112.162 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . 0.5 ' O ' ' CD2' ' A' ' 173' ' ' PHE . 0.4 OUTLIER -126.45 116.71 21.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.423 179.867 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.402 ' O ' ' CE1' ' A' ' 173' ' ' PHE . 12.3 mm-40 -82.77 152.73 66.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.23 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.13 155.78 63.93 Favored 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 122.142 1.895 . . . . 0.0 112.081 179.903 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 176' ' ' TRP . . . . . 0.462 ' O ' ' N ' ' A' ' 178' ' ' GLY . 14.8 p90 -100.0 142.8 30.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.552 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -49.59 91.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.533 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 176' ' ' TRP . . . 156.66 -35.46 0.58 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -42.7 -43.28 3.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 110.514 179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -55.38 -57.05 13.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.536 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -65.41 -60.64 2.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.488 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -44.37 -43.74 7.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.524 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 27.3 t -55.99 -51.55 67.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.67 -30.02 67.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.507 179.914 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -75.15 -64.91 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.511 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 4.0 mt -57.55 -59.99 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.498 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 3.6 t -52.9 -53.06 54.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.443 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -54.05 -25.66 32.26 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -68.87 -61.58 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 110.502 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.7 tp -55.47 -21.7 17.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.567 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -76.91 -40.02 48.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.609 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . 0.516 ' O ' ' NE2' ' A' ' 195' ' ' GLN . . . -68.21 -55.14 13.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.514 -179.931 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . 0.419 ' CG2' ' N ' ' A' ' 194' ' ' LEU . 5.9 tt -56.99 -39.22 64.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.547 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 196' ' ' ASN . 1.8 tp -96.65 14.14 25.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.535 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' A' ' 192' ' ' ALA . 24.5 mm-40 62.12 -71.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.593 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 196' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 194' ' ' LEU . 0.7 OUTLIER -149.39 155.82 41.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.543 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -86.91 15.18 6.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.583 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -141.75 81.39 0.24 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 11.9 m120 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.596 179.998 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 mmt . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -160.83 -171.76 3.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.57 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 53.0 97.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.615 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.569 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -88.06 -43.83 0.48 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.919 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 4' ' ' SER . 28.7 Cg_exo -58.84 158.01 26.26 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.44 2.093 . . . . 0.0 111.973 -179.815 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -175.42 -15.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.611 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.425 ' HG ' ' H ' ' A' ' 8' ' ' GLY . 19.0 p 57.01 -145.7 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.551 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.425 ' H ' ' HG ' ' A' ' 7' ' ' SER . . . -103.32 -176.66 26.34 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -49.4 144.33 18.36 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.772 2.315 . . . . 0.0 112.145 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.451 ' C ' ' CG ' ' A' ' 11' ' ' HIS . 9.5 mmt85 -96.83 -117.52 0.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.514 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.451 ' CG ' ' C ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -152.28 34.33 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.695 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.506 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 6.9 mp -94.69 168.8 10.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.247 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.2 mtm -63.29 132.91 53.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.106 179.555 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.63 144.0 66.37 Favored Pre-proline 0 CA--C 1.536 0.412 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.43 -179.428 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.401 ' O ' ' OG1' ' A' ' 19' ' ' THR . 72.1 Cg_exo -40.42 -55.13 2.0 Allowed 'Trans proline' 0 N--CA 1.491 1.354 0 C-N-CA 122.151 1.901 . . . . 0.0 112.284 179.684 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -58.57 -50.98 71.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.997 -179.561 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.3 mm -48.93 -55.33 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.679 -179.754 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 28.7 t80 -51.23 -57.68 8.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.618 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -55.35 -64.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.73 -179.729 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.516 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -46.44 -28.04 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.749 -179.843 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.429 ' OD1' ' CD1' ' A' ' 32' ' ' TYR . 2.9 t30 -83.19 -36.18 24.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.616 -179.901 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -100.76 16.76 23.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.618 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.673 ' H ' HD21 ' A' ' 23' ' ' ASN . 0.0 OUTLIER -63.6 101.15 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.556 179.915 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -41.35 132.48 2.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.587 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.43 25.89 7.15 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.08 177.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.809 0.337 . . . . 0.0 110.611 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.7 56.62 0.03 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.724 ' H ' ' HE ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -155.64 150.11 26.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.647 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -56.58 82.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.538 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 28' ' ' ARG . 1.9 ttpt -157.1 26.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.589 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.452 ' OG1' ' ND2' ' A' ' 57' ' ' ASN . 11.1 p -47.16 135.38 10.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.76 -179.905 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.429 ' CD1' ' OD1' ' A' ' 21' ' ' ASN . 2.7 m-85 -108.56 144.97 35.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.668 179.878 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.0 tp -139.73 112.19 7.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.326 -179.933 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.39 122.92 47.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.293 179.635 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.495 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 14.7 p90 -113.05 137.7 51.03 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.805 -179.653 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -123.11 154.95 37.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.473 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.7 t -127.63 122.03 58.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 179.862 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.427 ' OE2' ' O ' ' A' ' 39' ' ' ARG . 3.1 tm-20 -131.55 132.59 44.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.351 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.427 ' O ' ' OE2' ' A' ' 38' ' ' GLU . 55.5 ttp180 -87.94 132.7 34.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.716 -179.729 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mp -88.42 122.71 32.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.426 179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.69 106.13 5.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.608 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.516 ' C ' ' H ' ' A' ' 44' ' ' THR . 88.8 m-20 49.16 52.12 14.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.69 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.17 -27.02 1.0 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.516 ' H ' ' C ' ' A' ' 42' ' ' ASN . 1.2 m -72.38 115.27 11.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.761 0.315 . . . . 0.0 110.461 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.92 111.27 23.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.46 ' CG2' ' O ' ' A' ' 46' ' ' VAL . 25.1 m -101.58 105.48 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.546 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -74.53 140.4 44.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.513 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.2 mmt -89.68 150.74 22.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.619 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -93.93 -50.15 5.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.547 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -103.1 76.33 1.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.458 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -171.52 -3.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.516 -179.879 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.8 ptt180 -101.66 170.8 7.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.53 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -171.78 -178.46 42.12 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.502 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 8.1 p90 -152.14 146.18 25.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 0.0 110.749 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mp -133.67 178.41 6.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.458 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -146.5 147.23 30.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.706 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.668 ' ND2' ' H ' ' A' ' 71' ' ' ALA . 0.8 OUTLIER -40.3 151.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.636 -179.905 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -108.96 99.44 8.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.528 179.913 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -102.42 127.39 49.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.503 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.84 -66.0 1.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.611 -179.877 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 63.66 23.7 13.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.1 mp -86.97 -58.13 2.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.47 -51.22 5.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.429 -179.529 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.524 ' C ' ' H ' ' A' ' 66' ' ' PHE . 2.2 t -82.21 -2.08 51.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.005 -179.281 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.68 -4.25 1.61 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.524 ' H ' ' C ' ' A' ' 64' ' ' CYS . 5.5 t80 -168.1 34.46 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.758 0.313 . . . . 0.0 110.807 179.919 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -87.7 111.97 21.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.487 -179.971 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.91 150.4 21.17 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.05 145.45 51.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.836 0.35 . . . . 0.0 110.714 -179.845 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.642 ' HE2' ' CD1' ' A' ' 73' ' ' LEU . 0.3 OUTLIER -64.43 135.04 55.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.782 179.889 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.668 ' H ' ' ND2' ' A' ' 57' ' ' ASN . . . -64.24 -31.03 72.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.633 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.434 ' OE1' ' SG ' ' A' ' 101' ' ' CYS . 15.5 mt-10 -42.39 -37.87 1.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.071 -179.684 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.642 ' CD1' ' HE2' ' A' ' 70' ' ' HIS . 1.1 mt -64.92 -55.81 17.04 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.385 -179.761 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -44.18 -42.59 6.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.403 -179.912 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.495 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 56.2 t80 -58.37 -56.27 24.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.126 179.704 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -53.94 -19.92 5.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.37 179.533 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.14 -46.76 27.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.588 -179.357 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 pp -84.85 -9.12 58.45 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.873 -179.59 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.6 t -55.97 -55.91 36.24 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.234 179.746 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -61.45 -17.59 54.48 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 121.471 1.448 . . . . 0.0 111.913 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.4 p -64.86 -13.68 57.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.684 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 12.2 mt -82.37 -20.7 36.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.445 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.76 35.73 0.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 179.75 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.0 mt -60.22 149.55 32.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.379 179.848 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.01 162.71 52.55 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.571 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.85 -6.14 18.51 Favored 'Trans proline' 0 N--CA 1.493 1.5 0 C-N-CA 122.548 2.165 . . . . 0.0 112.008 179.832 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.01 -74.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.592 -179.854 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.534 ' NE2' ' N ' ' A' ' 88' ' ' GLN . 0.5 OUTLIER -106.77 167.4 9.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.557 179.959 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.3 mm -89.17 155.27 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.668 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -141.34 168.13 20.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.62 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -132.6 112.34 11.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.573 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.1 t -96.36 113.24 30.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.268 179.846 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.4 m -104.53 119.75 39.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.782 -179.819 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 27.6 m0 -100.61 131.07 46.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.002 0.43 . . . . 0.0 110.506 179.733 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.57 ' CD2' ' SG ' ' A' ' 161' ' ' CYS . 4.9 m-85 -118.58 103.14 9.44 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.308 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.42 140.94 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.76 -177.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.478 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 2.8 p -92.44 -22.79 19.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.93 179.106 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.604 ' HE1' HH21 ' A' ' 28' ' ' ARG . 12.8 m95 -111.05 152.41 26.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.488 -179.628 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.64 160.64 18.04 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.47 179.932 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -67.82 129.11 19.07 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.401 2.067 . . . . 0.0 112.175 179.788 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.541 ' O ' ' N ' ' A' ' 103' ' ' SER . 0.5 OUTLIER -79.79 -164.04 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.272 179.932 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.507 ' O ' ' N ' ' A' ' 104' ' ' TRP . 0.1 OUTLIER -40.24 91.91 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 121.464 0.65 . . . . 0.0 110.008 -179.829 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 101' ' ' CYS . 0.6 OUTLIER -39.42 -23.87 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.041 -179.403 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.507 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -69.11 -35.54 76.55 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.585 -178.742 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -71.24 -62.45 3.5 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 120.302 -0.952 . . . . 0.0 110.841 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.53 -68.44 0.62 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.521 0.201 . . . . 0.0 111.472 -179.628 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 103' ' ' SER . . . -49.08 -32.78 10.32 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.27 -179.213 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.34 -62.95 4.04 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -53.65 -34.27 58.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.978 0.418 . . . . 0.0 110.019 179.7 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 69.8 t -71.07 -46.34 67.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.217 179.563 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -49.75 -59.12 4.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.949 179.732 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.54 -40.7 62.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.106 179.614 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 117' ' ' ASN . 7.9 t80 -54.17 -56.07 21.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.305 179.731 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.7 mp -59.89 -48.95 79.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.429 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -46.7 -29.29 1.82 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.17 179.823 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -110.36 -9.29 14.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.994 -179.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.498 ' C ' ' H ' ' A' ' 119' ' ' HIS . 10.6 m120 -139.83 47.57 1.83 Allowed 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.008 -179.725 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.18 1.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.868 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.498 ' H ' ' C ' ' A' ' 117' ' ' ASN . 5.4 p80 -84.36 15.72 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.616 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 5.2 m -136.63 143.83 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.539 179.685 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.72 148.6 22.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.169 179.944 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.73 112.53 13.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.579 -179.664 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.494 ' NH1' ' OE1' ' A' ' 149' ' ' GLN . 4.5 mtm-85 -115.17 128.87 56.46 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.335 179.815 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 37.8 mm -105.76 125.39 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.967 -179.605 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -120.48 103.45 9.19 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.549 179.213 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -93.58 110.13 21.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.244 179.759 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.527 ' O ' ' NH2' ' A' ' 128' ' ' ARG . . . -80.86 -55.79 4.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.874 -179.722 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.609 ' CA ' ' HE ' ' A' ' 128' ' ' ARG . 0.0 OUTLIER -118.98 151.67 37.76 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.771 0.319 . . . . 0.0 110.517 -179.944 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 51.5 mt -114.13 109.1 27.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.607 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -142.42 115.45 8.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.507 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -169.06 158.21 8.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.605 -179.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.18 -24.04 32.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.522 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 135' ' ' LEU . 0.7 OUTLIER -135.02 73.31 66.04 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.389 179.942 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -49.82 77.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 123.002 2.468 . . . . 0.0 112.541 -179.85 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 133' ' ' ASP . 1.4 pp -93.22 4.83 53.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.385 179.747 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.512 ' CG ' ' N ' ' A' ' 137' ' ' LYS . 25.1 p90 -44.52 -46.18 9.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.564 -179.799 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.512 ' N ' ' CG ' ' A' ' 136' ' ' TYR . 0.8 OUTLIER -42.4 -42.81 3.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 0.0 110.182 179.82 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.07 -39.78 75.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.445 179.761 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.27 -45.24 94.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.538 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.7 mp -55.3 -55.03 36.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.494 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -64.9 -58.46 6.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.577 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -34.98 12.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.645 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 40.6 tp -81.43 -34.16 31.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.493 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.4 ' C ' ' H ' ' A' ' 146' ' ' ALA . 12.1 ttp85 -51.62 -40.96 60.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.518 -179.972 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -71.16 3.5 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.619 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . 0.4 ' H ' ' C ' ' A' ' 144' ' ' ARG . . . -99.36 -24.07 14.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.659 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 97.62 24.83 11.49 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -97.63 177.18 5.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.681 0.277 . . . . 0.0 110.582 179.916 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . 0.494 ' OE1' ' NH1' ' A' ' 123' ' ' ARG . 11.0 mt-30 -123.1 136.2 54.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.54 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 23.0 m -132.03 128.7 59.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.639 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.5 t -153.27 162.04 41.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.547 179.904 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.1 tp -88.29 142.45 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.438 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.586 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 35.4 ttm -44.2 151.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.575 -179.913 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 6.0 p -132.31 171.17 14.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.579 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -64.63 -53.55 45.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.666 -179.912 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -51.54 -49.16 62.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.501 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -61.13 -36.24 79.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.645 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.586 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.1 OUTLIER -56.87 -40.98 77.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.715 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.87 -42.71 80.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.825 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.489 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.5 OUTLIER -67.49 -57.93 5.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.702 -179.913 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.57 ' SG ' ' CD2' ' A' ' 95' ' ' PHE . 1.2 t -56.32 -23.59 38.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.906 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 162' ' ' TRP . . . . . 0.621 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.4 t-105 -71.76 -70.42 0.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.939 -179.62 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . 0.621 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.2 OUTLIER -61.86 -14.4 33.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.277 -179.52 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 96.8 m -83.47 -28.22 28.9 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.21 -179.533 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -121.07 18.67 11.65 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.129 -179.619 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.574 ' C ' ' H ' ' A' ' 168' ' ' HIS . 74.9 t -130.58 145.65 35.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.951 179.665 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -73.27 35.48 0.08 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 178.701 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.718 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 1.1 t60 -43.38 -60.45 1.71 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.947 -179.849 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . 0.627 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 25.8 mt-30 42.67 15.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.08 179.633 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . 0.718 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 143.54 0.9 1.09 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 179.88 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . 0.62 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 0.9 OUTLIER -113.69 88.54 13.95 Favored Pre-proline 0 CA--C 1.533 0.295 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.797 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -78.59 143.92 19.43 Favored 'Trans proline' 0 C--N 1.314 -1.276 0 C-N-CA 122.074 1.849 . . . . 0.0 112.407 -179.205 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . 0.507 ' CE1' ' O ' ' A' ' 174' ' ' GLN . 1.1 t80 -86.07 125.85 33.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.622 -179.891 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.507 ' O ' ' CE1' ' A' ' 173' ' ' PHE . 22.4 mt-30 -93.91 156.31 39.41 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -70.06 162.9 40.48 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.324 2.016 . . . . 0.0 112.127 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 176' ' ' TRP . . . . . 0.434 ' CD1' ' C ' ' A' ' 176' ' ' TRP . 12.3 p90 -120.5 152.93 37.36 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.41 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . 0.5 ' N ' ' OD1' ' A' ' 177' ' ' ASP . 0.8 OUTLIER -57.84 91.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.506 -179.942 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 139.27 -14.12 3.26 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.2 tt -54.11 -37.7 64.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.32 . . . . 0.0 110.585 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.94 -57.31 3.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.619 -179.89 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -50.41 -50.51 51.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.644 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -54.8 -62.97 1.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.628 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 3.4 m -49.07 -45.6 43.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.572 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -62.65 -31.61 72.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.621 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -70.32 -65.1 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.581 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 2.6 mt -47.34 -48.29 25.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.589 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 10.8 p -53.37 -50.75 64.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.624 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -50.01 -41.95 38.28 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -61.56 2.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.546 -179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.1 tp -49.34 -51.22 35.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.459 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 13.3 mmt85 -51.47 -34.15 34.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.44 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -63.08 -48.84 76.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.479 179.903 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.17 -36.81 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.476 179.915 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 5.0 mt -64.8 -22.65 67.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.568 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 49.19 44.86 23.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 196' ' ' ASN . . . . . 0.505 ' N ' ' OD1' ' A' ' 196' ' ' ASN . 1.1 m-20 57.5 163.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.551 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -71.04 -51.77 23.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.549 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -85.0 154.41 29.08 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.574 -179.991 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -77.14 112.36 13.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.619 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 4' ' ' SER . . . -88.98 -29.89 19.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.494 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 3' ' ' ALA . 0.3 OUTLIER 55.85 162.83 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.572 -179.947 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -70.77 -166.18 0.21 Allowed 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.593 2.195 . . . . 0.0 112.062 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.76 129.09 12.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.646 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.03 159.6 14.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.499 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -137.81 -71.44 0.05 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.882 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -72.29 76.51 2.21 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.797 2.331 . . . . 0.0 112.138 -179.844 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -137.88 -171.87 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.596 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.529 ' CD2' ' H ' ' A' ' 11' ' ' HIS . 0.2 OUTLIER -132.59 87.06 2.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.402 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.656 ' CD2' ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -104.34 173.21 6.4 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -179.636 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.3 ptp -61.9 162.89 8.34 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.363 -179.294 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.79 157.57 60.42 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.312 -178.843 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.426 ' O ' ' OG1' ' A' ' 19' ' ' THR . 53.5 Cg_exo -44.04 -56.42 2.49 Favored 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 122.564 2.176 . . . . 0.0 112.72 179.568 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -52.02 60.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.082 -179.263 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.2 mm -48.79 -42.95 13.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.624 -179.714 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -70.95 -60.92 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -47.92 -57.96 5.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.422 -179.933 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.427 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 2.2 t -52.1 -36.24 50.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.479 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.623 ' ND2' ' CG ' ' A' ' 32' ' ' TYR . 9.0 t30 -80.66 -9.1 59.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.533 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -133.23 24.52 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.682 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.507 ' N ' ' O ' ' A' ' 19' ' ' THR . 14.8 p-10 -65.09 109.78 2.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.506 179.887 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.498 HD21 ' CD2' ' A' ' 182' ' ' HIS . 1.4 m-20 -42.34 128.06 3.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.514 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.66 108.48 0.54 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -147.12 -166.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 110.637 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -177.59 -14.79 0.02 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.47 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 0.0 OUTLIER -176.36 120.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 0.0 110.578 179.949 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.47 ' CD2' ' O ' ' A' ' 28' ' ' ARG . 32.9 m-70 -164.47 -82.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.505 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -179.74 104.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.519 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 35.6 p -47.17 139.89 5.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.878 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.623 ' CG ' ' ND2' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -120.6 149.09 43.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.403 179.908 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.0 tp -143.27 111.84 6.38 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.659 -179.801 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.21 115.72 31.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.998 179.271 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.425 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 28.9 p90 -108.64 148.9 29.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.002 0.43 . . . . 0.0 111.276 -179.316 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -135.95 160.04 39.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.1 179.403 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.496 ' CG2' ' ND1' ' A' ' 51' ' ' HIS . 11.6 t -126.71 126.45 68.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.571 -179.891 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -139.61 134.05 31.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.695 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -103.05 142.13 34.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.331 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 mp -101.23 140.57 35.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.714 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -146.44 100.46 3.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.467 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 57.36 35.39 25.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.549 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.47 -5.67 82.49 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.3 m -90.91 102.53 15.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.765 0.316 . . . . 0.0 110.585 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 75.0 m -89.5 107.45 19.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.594 179.935 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 40.7 t -100.13 125.06 53.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.643 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.33 137.8 32.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.494 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.8 mtm -101.4 136.05 41.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.702 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.21 -50.35 8.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.608 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.66 65.91 9.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.352 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.496 ' ND1' ' CG2' ' A' ' 37' ' ' VAL . 5.0 t-80 -170.29 -9.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.437 -179.623 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.2 170.94 7.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.746 -179.88 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.425 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . 179.71 -172.24 43.93 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 11.3 p90 -147.5 142.41 26.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.788 0.328 . . . . 0.0 110.786 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.7 mt -128.47 178.44 6.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.517 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -149.33 161.82 41.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.504 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.44 ' O ' ' CB ' ' A' ' 58' ' ' GLN . 4.5 t30 -68.19 157.18 35.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.611 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.44 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 4.1 tp-100 76.65 -64.79 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.573 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 53.3 173.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.5 mtpp -103.63 68.89 0.95 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.626 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.432 ' ND2' HH12 ' A' ' 74' ' ' ARG . 3.9 m120 -137.19 60.18 1.66 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.617 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.32 9.41 17.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.553 179.908 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.0 mp -48.34 -50.89 28.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.535 -179.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.93 4.97 22.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.563 179.942 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.519 ' C ' ' H ' ' A' ' 67' ' ' TYR . . . 86.47 33.04 14.46 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.72 19.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.71 0.29 . . . . 0.0 110.585 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.519 ' H ' ' C ' ' A' ' 65' ' ' GLY . 2.6 m-85 -76.25 132.44 39.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.683 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.47 7.31 30.26 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.428 HH21 ' CD1' ' A' ' 73' ' ' LEU . 4.7 mmp_? -95.69 145.2 25.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 0.0 110.528 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.611 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -81.19 155.63 26.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.553 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.56 -28.96 67.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.433 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -62.33 -50.48 71.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.612 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.428 ' CD1' HH21 ' A' ' 69' ' ' ARG . 22.5 mt -63.7 -51.82 63.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.585 -179.921 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.432 HH12 ' ND2' ' A' ' 61' ' ' ASN . 39.8 ttt85 -55.2 -36.22 65.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.666 -179.922 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -70.91 -50.64 32.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.715 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.6 tp -64.59 -19.73 65.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -33.15 69.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.289 -179.495 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.426 ' C ' ' CD1' ' A' ' 78' ' ' LEU . 3.7 pp -101.39 8.06 42.39 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.921 -0.311 . . . . 0.0 111.046 -179.597 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.569 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -63.58 -41.58 67.04 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.808 179.854 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 27.4 Cg_exo -59.08 -17.69 39.62 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.212 1.941 . . . . 0.0 111.774 179.877 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.4 p -62.56 -9.01 7.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.675 -179.901 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.3 mt -95.26 -46.16 6.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.287 -179.824 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 72.36 47.5 0.27 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.705 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.2 mt -64.6 127.71 32.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.314 179.714 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.31 160.48 27.43 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.634 -179.777 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -71.51 -11.97 28.84 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.611 2.208 . . . . 0.0 112.09 179.832 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.515 ' O ' ' NE2' ' A' ' 88' ' ' GLN . . . -40.82 -35.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.616 -179.871 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.515 ' NE2' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -138.5 171.39 14.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.481 -179.957 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.553 ' N ' ' CD1' ' A' ' 89' ' ' ILE . 1.7 mp -90.19 147.21 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.419 179.929 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -124.37 156.72 36.57 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.51 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -146.55 102.07 3.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.538 -179.853 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.3 t -92.68 133.42 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.459 179.932 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.56 117.8 34.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.571 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 17.8 m0 -100.19 132.61 45.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.062 0.458 . . . . 0.0 110.414 179.838 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.582 ' CE2' ' SG ' ' A' ' 161' ' ' CYS . 49.7 m-85 -126.0 103.02 7.52 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 178.555 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.08 143.21 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.086 -177.871 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 6.3 p -95.89 -26.96 15.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.473 178.889 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 13.6 m95 -111.99 132.06 55.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.992 179.702 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.9 OUTLIER -57.34 141.73 77.27 Favored Pre-proline 0 CA--C 1.537 0.475 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.42 -179.559 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.423 ' O ' ' O ' ' A' ' 99' ' ' SER . 50.3 Cg_exo -43.27 173.06 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.387 0 C-N-CA 122.027 1.818 . . . . 0.0 112.384 179.733 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.572 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 26.3 p -107.04 -119.41 0.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.994 179.454 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.572 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.2 OUTLIER -70.19 108.54 4.19 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.87 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 108' ' ' GLY . 71.7 m -40.74 -27.23 0.05 Allowed 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.159 -179.426 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.406 ' N ' ' O ' ' A' ' 102' ' ' PHE . 4.1 t90 -85.57 -23.83 27.47 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.783 -179.418 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.36 -63.15 1.59 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 179.784 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.43 -69.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.734 0.302 . . . . 0.0 111.018 -179.876 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.3 -42.12 90.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.845 -179.551 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -53.5 -45.01 67.52 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.868 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -69.43 -26.2 64.49 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.752 -179.926 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 66.6 t -81.97 -63.57 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.94 -36.0 7.15 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.658 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.73 -47.35 63.38 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.411 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -45.79 -39.7 8.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.022 179.401 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.458 ' C ' ' N ' ' A' ' 116' ' ' GLU . 10.4 mp -72.45 -51.15 21.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.143 179.562 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -46.74 -17.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.026 179.577 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.458 ' N ' ' C ' ' A' ' 114' ' ' LEU . 2.2 tp10 -106.82 -32.4 7.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.71 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.513 ' C ' ' H ' ' A' ' 119' ' ' HIS . 5.1 m120 -138.28 59.35 1.65 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.769 -179.788 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.35 1.55 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.055 -179.874 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.513 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -76.23 5.75 6.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.762 0.315 . . . . 0.0 110.638 -179.944 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.1 p -130.94 132.08 63.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.547 179.791 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -91.6 144.0 25.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.4 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.44 122.98 27.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.887 -179.833 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -112.26 123.73 50.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.23 179.626 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 1.7 mp -105.56 127.47 60.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.653 -179.609 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -121.52 98.22 5.87 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.604 179.786 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.51 111.82 11.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.248 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -85.39 -46.95 10.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.647 -179.801 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.491 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -132.14 142.02 49.34 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.845 0.355 . . . . 0.0 110.658 179.948 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.445 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 0.3 OUTLIER -98.41 132.89 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.529 179.944 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.445 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 0.2 OUTLIER 177.77 116.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.658 179.993 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.5 ' C ' ' H ' ' A' ' 133' ' ' ASP . 0.4 OUTLIER -177.94 136.32 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.511 179.948 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -70.32 10.1 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.527 179.911 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.526 ' C ' ' H ' ' A' ' 135' ' ' LEU . 21.6 m-20 -120.63 81.12 32.11 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.663 -179.932 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.53 ' C ' ' H ' ' A' ' 136' ' ' TYR . 51.8 Cg_exo -49.47 -6.69 0.07 OUTLIER 'Trans proline' 0 N--CA 1.493 1.468 0 C-N-CA 122.476 2.118 . . . . 0.0 112.273 -179.858 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.526 ' H ' ' C ' ' A' ' 133' ' ' ASP . 3.4 mp -54.9 -5.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.651 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.53 ' H ' ' C ' ' A' ' 134' ' ' PRO . 44.9 t80 -41.95 -32.32 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.894 0.378 . . . . 0.0 110.556 -179.922 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -68.46 -61.55 1.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.352 179.81 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -47.88 -30.29 4.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.389 179.732 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.465 ' CB ' ' OG ' ' A' ' 103' ' ' SER . . . -69.16 -46.76 66.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.306 179.881 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.0 tp -52.01 -40.35 60.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.381 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -77.79 -42.2 34.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.479 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.76 -27.21 62.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.503 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 146' ' ' ALA . 6.4 mt -81.39 -49.23 10.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.672 -179.899 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -45.34 -43.05 10.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.542 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -66.63 -23.44 66.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.526 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -82.51 -22.84 34.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.529 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 101.65 -15.5 57.12 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -58.26 156.02 10.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.855 0.36 . . . . 0.0 110.57 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -97.14 134.77 40.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.622 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -132.03 115.2 26.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.552 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.4 t -153.07 162.28 41.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.619 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . 0.441 ' CD1' ' N ' ' A' ' 152' ' ' ILE . 1.6 mp -84.6 133.88 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.41 179.936 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.541 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 2.6 ttt -41.23 130.59 2.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.728 -179.845 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.28 164.56 11.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.642 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . 0.429 ' C ' ' CD1' ' A' ' 155' ' ' TYR . 29.4 t80 -52.9 -52.13 58.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.711 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.88 -61.04 2.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.759 -179.843 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -56.23 -48.47 76.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.705 -179.848 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.541 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 0.2 OUTLIER -41.49 -38.65 1.34 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.797 -179.873 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -74.54 -60.89 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.796 -179.614 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.434 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -47.3 -49.55 23.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.844 -179.73 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.582 ' SG ' ' CE2' ' A' ' 95' ' ' PHE . 0.8 OUTLIER -65.16 -50.29 66.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.811 -179.766 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 162' ' ' TRP . . . . . 0.618 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 2.8 t-105 -43.64 -65.66 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 -179.568 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . 0.618 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -62.09 -49.67 75.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.125 -179.511 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 96.9 m -55.02 -16.86 3.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.518 -179.232 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -121.28 18.65 11.48 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.562 -179.543 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.569 ' C ' ' H ' ' A' ' 168' ' ' HIS . 24.8 t -146.18 138.9 20.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.115 179.649 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.85 39.54 0.07 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.155 0.502 . . . . 0.0 109.688 178.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.569 ' H ' ' C ' ' A' ' 166' ' ' VAL . 32.6 p-80 -44.74 -51.35 9.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.468 -179.703 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . 0.561 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 43.9 mm-40 40.34 32.6 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.533 -179.904 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 142.0 0.35 1.48 Allowed Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . . . . . . . . . 6.2 m -115.19 82.55 9.12 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.578 0.189 . . . . 0.0 110.589 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -78.0 152.86 28.48 Favored 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.211 1.941 . . . . 0.0 112.357 -179.491 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -62.72 149.7 43.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.965 -179.699 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -140.99 148.09 50.63 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.026 179.658 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -73.14 134.04 20.55 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 122.046 1.831 . . . . 0.0 112.127 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -97.17 -173.69 2.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.382 179.781 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -88.14 86.73 7.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.584 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 146.24 -9.95 1.52 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.0 tt -51.12 -30.39 16.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 110.465 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -76.58 -61.4 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.553 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -51.92 -52.37 50.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.487 -179.869 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 182' ' ' HIS . . . . . 0.498 ' CD2' HD21 ' A' ' 24' ' ' ASN . 45.0 m-70 -53.47 -56.06 20.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.536 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 38.7 t -50.72 -49.86 56.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.577 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -56.97 -33.69 67.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.52 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -67.85 -63.46 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.558 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 9.6 mp -57.26 -59.1 5.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.556 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 1.5 t -50.0 -36.11 27.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.526 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -62.45 -45.39 96.0 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -55.29 -57.76 10.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 110.531 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.0 tp -48.96 -49.06 42.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.458 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . 0.474 ' O ' ' N ' ' A' ' 195' ' ' GLN . 1.6 ttm180 -45.74 -49.3 14.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.566 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -56.2 -52.07 65.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.555 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 77.0 mt -60.1 -63.19 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.516 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.5 tp -60.46 -19.64 57.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.517 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 191' ' ' ARG . 0.1 OUTLIER 55.95 97.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.618 179.943 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -150.51 -169.48 3.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.556 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -164.45 -52.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.534 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -88.83 145.33 18.65 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.537 179.989 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.5 mtm . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -71.85 109.67 5.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 4' ' ' SER . . . -140.01 26.85 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.588 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 55.8 162.72 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.417 179.953 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.408 ' O ' ' O ' ' A' ' 6' ' ' ALA . 41.7 Cg_endo -70.24 135.92 30.46 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.579 2.186 . . . . 0.0 112.086 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 5' ' ' PRO . . . 47.7 -176.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.591 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.5 t -94.92 -38.63 10.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.588 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.14 65.68 1.62 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -45.79 101.81 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.846 2.364 . . . . 0.0 112.074 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.48 -69.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.563 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 69.93 121.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.527 -179.882 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.478 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 6.2 mp -98.56 172.98 7.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.149 -179.895 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.4 mtm -63.04 132.13 50.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.173 179.815 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.12 143.16 79.23 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.349 -179.603 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.432 ' O ' ' OG1' ' A' ' 19' ' ' THR . 87.0 Cg_exo -39.51 -55.46 1.58 Allowed 'Trans proline' 0 N--CA 1.489 1.25 0 C-N-CA 122.148 1.898 . . . . 0.0 112.386 179.775 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -57.97 -54.27 48.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.723 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.0 mm -48.88 -43.16 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.755 -179.768 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -66.84 -61.08 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -53.75 -64.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.679 -179.854 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 t -42.43 -61.19 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.733 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.453 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 22.1 t-20 -50.73 -36.73 37.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.655 -179.838 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -100.87 16.5 24.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.454 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' A' ' 19' ' ' THR . 1.1 t-20 -42.25 112.78 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.51 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -40.48 93.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.586 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 23' ' ' ASN . . . 106.42 108.67 3.32 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.918 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 pp -133.82 -174.88 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-O 120.706 0.288 . . . . 0.0 110.511 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.92 16.26 0.03 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.69 ' H ' ' NE ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -103.18 144.41 31.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.469 179.978 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -66.62 79.59 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.452 179.866 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -163.33 39.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.637 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.7 p -47.02 157.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.055 -179.888 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.453 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.4 OUTLIER -127.14 143.93 51.15 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.386 179.66 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.41 ' C ' ' CD2' ' A' ' 33' ' ' LEU . 5.1 tt -137.06 118.09 14.32 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.318 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.59 ' SG ' ' CE1' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -107.19 122.08 45.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.575 179.919 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 22.7 p90 -109.17 141.83 40.83 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 -179.772 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.429 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 1.9 tm-20 -144.26 129.16 18.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.19 179.804 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.429 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 0.5 OUTLIER -98.36 137.47 25.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.095 0.474 . . . . 0.0 110.94 -179.698 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.43 ' OE1' ' OG1' ' A' ' 93' ' ' THR . 2.5 mp0 -135.75 129.13 32.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.176 179.737 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -94.22 140.65 29.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.623 -179.761 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 59.5 mt -100.12 149.4 23.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.559 179.803 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.88 104.56 3.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.616 -179.874 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 55.18 24.94 6.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.59 179.85 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.91 -24.0 31.98 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 89.3 m -68.74 127.89 34.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 110.516 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.59 118.99 32.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.641 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.1 t -121.59 102.66 12.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.47 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -77.17 146.32 37.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.596 -179.84 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -92.15 144.84 25.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.754 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.64 -50.39 5.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.453 179.862 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.08 66.02 7.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.173 179.608 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.57 ' NE2' ' CD1' ' A' ' 82' ' ' LEU . 57.8 t-80 -171.17 13.2 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.403 -179.418 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -100.98 143.02 31.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.598 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -161.89 172.46 38.05 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.512 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 1.9 p90 -145.59 147.26 31.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.845 0.355 . . . . 0.0 110.645 -179.92 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -119.21 178.4 4.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.322 179.896 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 40.4 p-80 -130.88 153.08 49.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.577 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -58.58 149.22 26.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.728 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -102.07 141.03 35.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.467 179.91 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -139.71 -99.57 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.664 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -100.12 105.0 16.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.601 -179.897 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.44 ' C ' ' H ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -152.94 110.88 3.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.525 179.978 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -66.35 0.84 1.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.412 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.44 ' H ' ' C ' ' A' ' 61' ' ' ASN . 10.4 mp -49.67 -50.91 41.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.537 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.87 -9.96 19.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.63 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.473 ' O ' ' CD1' ' A' ' 67' ' ' TYR . . . 111.22 49.9 0.64 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.428 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 4.1 t80 77.26 -38.64 0.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.785 0.326 . . . . 0.0 110.602 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' A' ' 65' ' ' GLY . 49.2 m-85 -42.11 157.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.463 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -141.23 161.21 26.88 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -138.46 132.43 31.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.722 0.296 . . . . 0.0 110.457 179.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.663 ' CD2' ' H ' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -53.81 138.4 35.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.003 -179.936 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.16 -39.3 1.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.553 -179.554 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -63.97 -39.31 93.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.482 179.808 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 70' ' ' HIS . 74.2 mt -72.2 -40.47 67.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.653 -179.875 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -49.98 62.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.556 -179.86 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.419 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 14.4 t80 -66.27 -37.15 84.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.575 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.71 -19.92 62.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.465 179.888 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -78.24 -23.36 47.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.246 -179.552 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 pp -114.31 9.04 16.88 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.721 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.578 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.1 t -60.05 -41.15 83.29 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.647 179.74 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 14.8 Cg_exo -66.14 -17.32 54.61 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.415 2.077 . . . . 0.0 111.938 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.6 t -59.18 -27.6 65.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.606 -179.933 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.57 ' CD1' ' NE2' ' A' ' 51' ' ' HIS . 3.6 mm? -71.85 -39.32 69.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.473 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.482 ' CB ' ' O ' ' A' ' 82' ' ' LEU . 3.8 tt0 80.61 45.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.967 -179.37 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.5 mt -38.08 155.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.264 -179.687 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.526 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 0.6 OUTLIER -122.54 85.44 48.51 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.106 179.822 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -46.88 -8.71 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 122.3 2.0 . . . . 0.0 112.47 -179.683 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.52 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -45.57 -23.77 0.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.53 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.52 ' NE2' ' O ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -142.03 -170.65 3.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.704 -179.965 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.542 ' N ' ' CD1' ' A' ' 89' ' ' ILE . 1.7 mp -90.77 144.07 9.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.588 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.444 ' CD2' ' NE2' ' A' ' 88' ' ' GLN . 2.7 m-85 -133.55 161.3 34.99 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.592 179.658 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -142.73 109.68 5.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.434 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 5.9 t -88.95 116.12 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.467 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.43 ' OG1' ' OE1' ' A' ' 38' ' ' GLU . 1.3 m -92.55 116.4 28.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.601 -179.872 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 15.7 m0 -100.34 133.14 45.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.455 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.548 ' CZ ' ' SG ' ' A' ' 161' ' ' CYS . 67.6 m-85 -126.18 102.87 7.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 178.675 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.59 140.53 26.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.012 0.434 . . . . 0.0 111.842 -178.22 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 1.7 p -94.05 -28.95 15.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.923 179.102 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -112.23 132.92 54.65 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.46 179.815 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.13 162.32 0.51 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.249 179.507 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -67.4 144.52 67.93 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.537 2.158 . . . . 0.0 112.233 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.43 -83.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.55 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -101.14 93.16 5.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.303 0.573 . . . . 0.0 109.483 179.431 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 21.3 p -45.06 -27.72 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.14 -179.203 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -85.55 -22.13 28.24 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.651 -0.419 . . . . 0.0 111.417 -179.369 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.37 -63.58 1.56 Allowed Glycine 0 CA--C 1.526 0.724 0 C-N-CA 120.362 -0.923 . . . . 0.0 111.182 -179.695 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.04 -69.05 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.912 -179.855 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -55.07 -27.38 44.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.461 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.6 -54.25 27.01 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 109.89 -1.284 . . . . 0.0 109.89 179.201 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -55.3 -31.52 61.69 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.151 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 53.0 t -72.05 -49.47 43.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.922 179.317 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -46.24 -58.89 3.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.887 179.501 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.18 -43.34 64.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.084 179.536 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.401 ' O ' ' N ' ' A' ' 117' ' ' ASN . 2.9 t80 -48.19 -55.02 11.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.331 179.679 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.454 ' C ' ' H ' ' A' ' 116' ' ' GLU . 10.6 mp -60.86 -56.69 18.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.373 179.895 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -46.55 -17.6 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.221 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.454 ' H ' ' C ' ' A' ' 114' ' ' LEU . 37.5 tt0 -110.36 -21.46 12.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.936 -179.891 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.467 ' C ' ' N ' ' A' ' 119' ' ' HIS . 21.0 m120 -132.7 46.1 2.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.941 -179.638 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.9 t -45.65 -16.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.666 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.525 ' ND1' ' O ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -76.21 6.63 5.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.315 179.857 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 117' ' ' ASN . 39.9 t -125.0 122.25 62.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.299 179.766 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -91.27 148.38 22.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.309 179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.3 128.11 39.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.075 -179.537 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -118.52 117.62 29.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.893 179.262 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 5.5 mt -105.9 127.65 60.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.046 -179.33 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -123.57 107.67 11.79 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.356 179.661 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -83.15 112.29 19.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.492 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -82.58 -46.54 13.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.433 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -132.11 144.61 50.83 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.491 179.773 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.486 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 0.2 OUTLIER -104.29 112.21 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.624 -179.806 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.486 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 24.5 m-85 -155.6 123.51 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.666 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 1.0 OUTLIER -162.86 -173.7 3.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.473 -179.942 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -90.56 -66.04 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.558 -179.903 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.523 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.1 OUTLIER -96.81 161.15 27.48 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.44 -179.886 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -69.8 25.16 0.18 Allowed 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.512 2.141 . . . . 0.0 112.088 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.523 ' H ' ' C ' ' A' ' 133' ' ' ASP . 6.1 mt -62.77 -7.26 4.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.559 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.553 ' CG ' ' N ' ' A' ' 137' ' ' LYS . 2.8 p90 -57.45 -39.73 76.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.627 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.553 ' N ' ' CG ' ' A' ' 136' ' ' TYR . 18.7 tttt -70.04 -43.32 71.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 -179.89 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -52.91 -35.05 57.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.531 -179.863 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -72.43 -50.99 22.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.608 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.9 mt -44.55 -48.47 10.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.39 179.871 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -70.52 -53.59 15.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.466 179.809 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -48.16 -28.55 3.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.513 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 146' ' ' ALA . 1.8 mm? -74.08 -54.12 8.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.425 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.84 -34.71 2.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.535 179.926 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.56 -25.28 49.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.59 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -81.29 -23.94 37.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.621 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 84.61 76.96 1.18 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -150.36 172.65 15.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.765 0.317 . . . . 0.0 110.49 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 34.8 tp60 -100.47 112.28 24.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.723 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 2.6 m -119.1 113.74 42.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.43 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 74.1 p -153.23 162.34 41.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.828 -179.789 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.2 tp -80.07 134.56 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.326 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 20.7 mmm -41.23 130.26 2.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.744 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.34 159.33 16.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.434 179.867 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -50.77 -48.62 59.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.58 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.88 -60.74 2.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.594 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.12 -57.76 4.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.574 -179.919 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -42.6 -47.03 5.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.608 -179.93 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -53.79 -48.55 69.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.743 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.611 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.41 -57.41 5.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.719 -179.767 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.611 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 0.1 OUTLIER -53.71 -23.49 11.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.654 -179.924 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 162' ' ' TRP . . . . . 0.613 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 6.5 t-105 -74.24 -70.55 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 -179.742 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . 0.613 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -62.69 -14.17 40.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.093 -179.609 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 98.8 m -84.42 -27.3 27.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.1 -179.665 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . 0.59 ' CE1' ' SG ' ' A' ' 34' ' ' CYS . 47.8 m-85 -121.33 18.75 11.43 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.259 -179.584 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.567 ' C ' ' H ' ' A' ' 168' ' ' HIS . 70.7 t -129.47 145.89 35.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.785 0.326 . . . . 0.0 111.171 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . 0.4 ' OD1' ' OE1' ' A' ' 169' ' ' GLN . 44.6 t0 -75.97 37.91 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.241 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.735 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.6 OUTLIER -37.86 -59.11 0.86 Allowed 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.698 -179.331 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . 0.628 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 2.2 mp0 40.47 18.89 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.003 -179.844 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . 0.735 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 142.64 -0.13 1.4 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 179.736 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . 0.612 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 1.0 OUTLIER -115.0 87.01 14.45 Favored Pre-proline 0 CA--C 1.531 0.236 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.686 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -80.82 161.9 21.25 Favored 'Trans proline' 0 C--N 1.314 -1.275 0 C-N-CA 122.262 1.975 . . . . 0.0 112.869 -178.747 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -52.2 139.74 22.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.586 179.872 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -122.33 84.64 47.01 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.71 -179.786 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -49.67 134.06 33.29 Favored 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.247 1.964 . . . . 0.0 112.098 -179.865 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 176' ' ' TRP . . . . . 0.472 ' O ' ' N ' ' A' ' 178' ' ' GLY . 8.4 p90 -102.44 144.87 30.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.569 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 177' ' ' ASP . 0.9 OUTLIER -53.38 87.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.576 -179.915 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 176' ' ' TRP . . . 158.8 -29.87 0.44 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . 0.406 ' CD1' ' CZ2' ' A' ' 176' ' ' TRP . 1.8 tp -50.33 -29.78 10.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 110.55 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -71.46 -62.3 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.578 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -54.36 -50.9 66.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.597 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -51.14 -59.72 3.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.547 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 25.9 t -52.86 -33.25 48.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.564 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -60.76 -52.81 63.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.565 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -55.33 -54.36 44.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.593 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 46.3 mt -55.45 -50.23 70.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.526 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 20.1 p -59.24 -37.73 78.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.523 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -53.6 -49.0 59.31 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 8.5 mtm-85 -61.92 -54.05 47.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.602 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.73 -44.91 6.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.367 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -65.33 -38.15 89.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.591 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -52.76 -42.12 64.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.677 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . 0.449 ' CD1' ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -70.65 -46.92 67.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.667 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 9.2 mt -62.32 -35.88 80.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -96.94 68.1 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.548 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.47 -62.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.552 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -96.8 157.59 15.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.547 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -97.06 -84.92 1.76 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.547 -179.969 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 mtm . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -101.55 115.21 30.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.522 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -172.51 -169.38 0.6 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.631 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.0 m 54.79 60.93 9.68 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.629 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -74.05 -61.92 0.04 OUTLIER 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.689 2.259 . . . . 0.0 112.165 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 49.38 -158.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.568 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.38 -158.76 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.603 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 168.04 61.52 0.03 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -74.66 79.3 2.58 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.781 2.321 . . . . 0.0 112.18 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.55 -80.02 0.6 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.454 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.88 92.34 2.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.416 -179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.607 ' CD2' ' N ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -108.66 161.34 15.18 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.99 -179.9 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -78.4 166.14 22.98 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.278 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -83.12 147.85 54.97 Favored Pre-proline 0 C--N 1.328 -0.357 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.492 -179.697 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.424 ' O ' ' OG1' ' A' ' 19' ' ' THR . 75.2 Cg_exo -40.21 -53.19 2.65 Favored 'Trans proline' 0 N--CA 1.489 1.22 0 C-N-CA 122.219 1.946 . . . . 0.0 112.102 179.661 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.488 ' ND1' ' OG ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -60.8 -52.47 64.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.049 -179.631 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.403 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 2.9 mm -48.65 -33.73 5.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.513 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -82.42 -61.15 1.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.716 -179.899 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.6 OUTLIER -50.33 -26.5 4.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.599 -179.875 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.488 ' OG ' ' ND1' ' A' ' 16' ' ' HIS . 42.7 m -78.37 -53.52 7.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.483 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.52 ' OD1' ' CE1' ' A' ' 32' ' ' TYR . 20.9 m120 -69.03 0.36 4.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.488 -179.935 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.403 ' H ' ' C ' ' A' ' 20' ' ' SER . 35.5 m-85 -133.1 8.75 4.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.467 179.943 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 24' ' ' ASN . 0.1 OUTLIER -77.13 115.93 17.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.62 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.584 ' ND2' ' CE2' ' A' ' 176' ' ' TRP . 0.2 OUTLIER -42.24 165.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.554 179.962 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.06 58.26 11.31 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.9 pt -72.01 -177.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 110.571 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.92 31.34 0.02 OUTLIER Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.499 HH22 HD21 ' A' ' 21' ' ' ASN . 0.2 OUTLIER -137.29 169.39 17.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.714 0.292 . . . . 0.0 110.444 -179.95 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -112.34 84.36 1.96 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.539 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -171.58 48.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.597 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.41 ' HG1' ' CB ' ' A' ' 98' ' ' TRP . 13.9 t -46.98 162.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.24 -179.83 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.52 ' CE1' ' OD1' ' A' ' 21' ' ' ASN . 1.0 OUTLIER -115.24 145.03 42.83 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.37 179.67 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.428 ' C ' ' CD2' ' A' ' 33' ' ' LEU . 5.7 tt -137.64 119.68 15.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.56 -179.726 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.67 133.9 55.05 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.317 179.626 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.569 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 30.4 p90 -122.8 134.68 54.41 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.728 -179.802 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -129.7 137.51 50.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.258 179.74 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -95.84 136.02 28.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 121.012 0.434 . . . . 0.0 110.545 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -140.3 118.07 11.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.521 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.571 HH12 ' CB ' ' A' ' 88' ' ' GLN . 11.6 ttm-85 -79.86 132.24 36.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.259 179.727 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.8 mt -98.73 121.72 41.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.507 -179.761 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -138.67 102.42 4.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.523 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 t30 61.69 25.23 15.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.556 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.62 -17.29 58.6 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.8 m -75.73 117.03 17.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.34 . . . . 0.0 110.581 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.41 ' O ' ' OG ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -100.03 108.82 21.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.646 179.932 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.0 t -101.23 111.6 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.548 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.412 ' NZ ' ' CB ' ' A' ' 47' ' ' LYS . 6.0 ttpm? -84.95 137.92 32.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.582 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.7 mtt -97.99 154.74 17.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.707 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.1 -50.38 4.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.853 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -91.83 70.95 5.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.598 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.518 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 39.3 t-80 -173.76 -13.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.453 -179.735 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 36.0 ptt85 -100.82 170.79 8.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.601 -179.909 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -172.2 -163.38 25.98 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.457 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 12.4 p90 -155.66 163.16 40.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.657 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 mt -146.32 177.72 8.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.511 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.424 ' ND1' ' N ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -140.29 148.91 42.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.586 179.967 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 58' ' ' GLN . 25.5 t30 -75.38 153.47 37.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.602 -179.896 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.44 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 2.1 tt0 49.72 76.33 0.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.746 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -98.71 -2.89 37.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.414 179.885 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.48 101.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.828 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.546 ' C ' ' H ' ' A' ' 63' ' ' LEU . 1.0 OUTLIER -122.93 116.29 23.36 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.757 179.874 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.558 ' CD1' ' N ' ' A' ' 62' ' ' LEU . 6.6 mp -68.22 6.98 0.65 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.098 -179.611 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.546 ' H ' ' C ' ' A' ' 61' ' ' ASN . 2.8 tt -48.06 -50.45 27.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.228 179.259 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -113.59 -0.2 14.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.469 179.833 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 66' ' ' PHE . . . 104.81 -19.05 42.35 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.864 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.455 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER 164.47 109.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.721 0.296 . . . . 0.0 110.575 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -117.2 156.5 27.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.486 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -135.62 89.19 0.23 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -135.73 145.61 46.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.778 0.323 . . . . 0.0 110.495 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.628 ' CD2' ' H ' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -77.21 154.26 33.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.652 -179.949 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -47.77 -22.96 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.452 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -63.16 -61.88 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.476 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.7 mp -54.86 -47.2 74.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.489 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -58.64 -40.06 82.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.542 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.569 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 41.9 t80 -73.97 -26.48 60.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.654 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.5 mt -70.65 -26.85 63.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.932 0.396 . . . . 0.0 110.196 179.73 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -74.44 -17.9 60.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.501 179.812 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.7 mt -79.72 -8.45 59.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.653 -179.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.2 t -46.22 -60.05 4.11 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.106 -179.833 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.53 -24.64 37.15 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 121.742 1.628 . . . . 0.0 111.778 179.168 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.5 -8.76 55.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.0 mp -105.88 -41.47 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.607 -179.706 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 61.57 51.97 3.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.515 179.84 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.5 mt -47.38 155.95 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.561 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.528 ' C ' ' H ' ' A' ' 87' ' ' ALA . 0.9 OUTLIER -115.99 85.19 14.53 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.602 -179.895 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -48.55 -8.02 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.42 2.08 . . . . 0.0 112.309 -179.877 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.528 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -52.36 -18.75 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.508 179.826 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.571 ' CB ' HH12 ' A' ' 39' ' ' ARG . 0.1 OUTLIER -144.68 -170.72 3.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.527 179.956 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.5 mm -93.8 152.76 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.953 0.406 . . . . 0.0 110.546 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -141.68 172.27 12.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.772 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -154.06 119.67 5.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.427 -179.672 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.32 136.25 44.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.3 179.641 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.3 m -111.47 122.21 47.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.918 -179.552 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -102.01 132.87 47.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.046 179.378 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.417 ' CD2' ' SG ' ' A' ' 161' ' ' CYS . 12.2 m-85 -120.82 102.91 8.69 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.618 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.03 142.23 27.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.919 -178.029 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.537 ' O ' ' N ' ' A' ' 128' ' ' ARG . 3.6 p -89.12 -31.63 17.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.38 178.657 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . 0.581 ' CZ3' ' CD1' ' A' ' 130' ' ' TYR . 12.6 m95 -110.59 146.93 35.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.438 179.715 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.4 OUTLIER -69.42 149.86 97.13 Favored Pre-proline 0 CA--C 1.534 0.36 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.743 -179.444 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' A' ' 99' ' ' SER . 51.8 Cg_exo -43.43 173.15 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 122.244 1.962 . . . . 0.0 112.422 179.507 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -112.39 -147.2 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.792 179.396 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.519 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -41.76 100.04 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.266 0.555 . . . . 0.0 109.596 179.373 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 101' ' ' CYS . 94.2 p -39.1 -23.98 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.789 -179.91 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.513 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -84.18 -30.99 25.36 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.625 -179.095 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -74.39 -62.11 2.99 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.307 -179.632 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.98 -69.08 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.672 0.273 . . . . 0.0 111.254 -179.557 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -48.12 -30.21 4.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.904 -179.452 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -66.82 -61.99 4.85 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 179.812 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -54.04 -48.58 70.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.96 0.409 . . . . 0.0 110.333 179.735 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.12 -49.19 85.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.479 179.895 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -47.28 -59.11 3.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.25 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -48.11 -40.55 23.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.356 179.869 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -59.82 -50.34 74.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.618 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 56.8 mt -63.74 -32.77 74.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.534 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -64.82 -29.98 70.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.506 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -110.15 13.58 23.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.058 -179.822 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.535 ' C ' ' H ' ' A' ' 119' ' ' HIS . 1.2 t30 -157.09 29.32 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.994 0.426 . . . . 0.0 110.845 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.445 ' C ' ' H ' ' A' ' 120' ' ' VAL . 12.8 t -47.07 -10.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.349 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.535 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.1 OUTLIER -75.89 13.54 0.83 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.885 0.374 . . . . 0.0 110.632 -179.934 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.445 ' H ' ' C ' ' A' ' 118' ' ' THR . 2.4 m -134.93 127.0 47.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.457 179.501 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.37 110.85 22.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.151 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 13.3 tp -109.16 112.46 24.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.77 -179.528 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.21 158.06 16.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.146 179.5 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 20.1 mt -126.21 140.01 49.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.917 -179.745 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -124.46 97.98 5.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.513 179.692 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -81.44 111.03 17.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.335 179.855 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.532 ' C ' HH21 ' A' ' 128' ' ' ARG . . . -82.75 -52.05 7.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 -179.653 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.627 ' CA ' ' HE ' ' A' ' 128' ' ' ARG . 0.0 OUTLIER -121.43 162.4 20.51 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 110.637 -179.835 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.46 142.05 42.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.753 -179.883 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.581 ' CD1' ' CZ3' ' A' ' 98' ' ' TRP . 6.1 t80 -97.18 -140.43 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.877 179.148 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -163.93 21.78 0.07 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.638 179.822 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . 0.439 ' CG ' ' O ' ' A' ' 132' ' ' TYR . 62.8 t80 -106.83 -1.48 22.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.639 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.505 ' C ' ' H ' ' A' ' 135' ' ' LEU . 16.4 m-20 -137.29 70.04 54.87 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.616 -179.903 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -50.68 -6.74 0.1 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.745 2.297 . . . . 0.0 112.142 179.891 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.505 ' H ' ' C ' ' A' ' 133' ' ' ASP . 5.9 mp -78.4 -3.42 43.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.622 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.592 ' CG ' ' N ' ' A' ' 137' ' ' LYS . 12.6 p90 -42.46 -44.7 4.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.628 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.592 ' N ' ' CG ' ' A' ' 136' ' ' TYR . 13.8 pttp -66.4 -37.54 85.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.579 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -59.64 -49.65 76.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.603 -179.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.51 -42.02 81.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.587 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.7 mp -50.93 -58.86 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.571 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -65.57 -46.47 79.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 -179.903 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -44.57 -33.01 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.416 -179.912 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' A' ' 146' ' ' ALA . 1.4 mp -82.32 -45.37 15.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.611 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -45.35 -28.39 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.45 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -83.89 -26.43 29.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.587 179.903 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -77.08 -22.19 53.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.656 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 105.35 -6.67 42.52 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -66.25 -176.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.717 0.294 . . . . 0.0 110.541 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -129.6 136.44 49.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.612 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 2.3 m -132.13 127.33 57.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.546 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.8 m -153.14 162.19 41.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.716 -179.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -84.16 134.15 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.529 179.903 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.588 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 10.4 ttt -52.6 134.07 35.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.614 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.51 163.67 12.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.586 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -58.92 -39.64 82.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.695 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -59.69 -58.13 9.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.54 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -53.9 -29.42 41.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.48 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.588 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.3 OUTLIER -65.85 -41.4 91.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.564 179.905 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -61.22 -48.69 80.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.605 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.602 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.32 -51.34 38.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.586 -179.931 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.602 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 9.2 t -58.87 -23.65 61.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.67 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 162' ' ' TRP . . . . . 0.627 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 2.7 t-105 -72.32 -66.34 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.796 -179.755 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . 0.627 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -64.4 -14.23 55.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.282 -179.457 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 93.9 m -86.39 -22.54 26.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.353 -179.507 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -121.33 18.36 11.44 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.376 -179.449 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.557 ' C ' ' H ' ' A' ' 168' ' ' HIS . 43.5 t -140.74 135.48 34.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.935 0.398 . . . . 0.0 110.687 179.549 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . 0.509 ' C ' ' H ' ' A' ' 169' ' ' GLN . 0.6 OUTLIER -70.86 37.43 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.314 -179.964 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.676 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.2 OUTLIER -48.29 -13.61 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.414 -179.959 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . 0.509 ' H ' ' C ' ' A' ' 167' ' ' ASP . 6.6 mt-30 41.64 19.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.802 179.802 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . 0.676 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 113.64 37.32 1.31 Allowed Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 179.651 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . 0.567 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 1.5 m -127.12 80.45 71.55 Favored Pre-proline 0 N--CA 1.463 0.19 0 CA-C-O 120.629 0.252 . . . . 0.0 110.535 179.72 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -52.43 148.33 26.64 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.512 2.141 . . . . 0.0 112.182 179.873 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . 0.46 ' CE1' ' O ' ' A' ' 174' ' ' GLN . 0.1 OUTLIER -99.27 119.12 37.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.409 179.922 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.46 ' O ' ' CE1' ' A' ' 173' ' ' PHE . 0.0 OUTLIER -85.38 151.2 55.95 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.388 -179.834 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.56 141.97 35.56 Favored 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.167 1.911 . . . . 0.0 112.015 179.808 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 176' ' ' TRP . . . . . 0.584 ' CE2' ' ND2' ' A' ' 24' ' ' ASN . 2.0 p90 -91.5 178.73 5.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.469 179.862 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.81 92.42 2.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.525 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 147.49 -45.44 0.76 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.5 tp -41.44 -34.22 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 110.63 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.05 -62.66 1.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.658 -179.885 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -59.48 -60.4 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.65 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -42.02 -49.84 4.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.562 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 19.8 m -53.95 -42.25 68.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.564 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -41.82 98.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.652 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -68.02 -54.48 18.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.542 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 9.0 mt -49.47 -54.25 18.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.609 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 22.6 m -61.0 -46.98 88.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.593 -179.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -49.04 -47.49 32.52 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 49.7 ttm-85 -58.98 -61.6 2.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.809 0.338 . . . . 0.0 110.591 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.9 tp -48.21 -49.1 34.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.501 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -55.37 -30.28 60.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.517 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -65.79 -50.8 63.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.513 -179.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . 0.409 ' CD1' ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -53.62 -49.33 56.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.565 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 5.7 mt -64.7 -30.65 71.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.547 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -87.52 84.13 7.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.552 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -141.03 60.4 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 179.932 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -80.47 -158.21 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.528 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 102.95 45.66 1.58 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.595 179.991 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.5 ttt . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.83 169.96 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.566 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.09 18.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.61 179.922 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 p -147.23 67.21 10.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.519 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -47.53 155.62 1.31 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.838 2.359 . . . . 0.0 112.146 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -164.28 -93.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.519 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.37 149.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.58 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.411 ' O ' ' OE1' ' A' ' 169' ' ' GLN . . . -166.36 172.66 41.7 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -72.84 85.37 1.17 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.761 2.307 . . . . 0.0 112.066 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.493 ' NH1' ' OD2' ' A' ' 49' ' ' ASP . 26.5 mtp180 -99.66 156.91 16.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.573 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.528 ' CD2' ' O ' ' A' ' 11' ' ' HIS . 0.4 OUTLIER -94.74 86.95 4.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.486 179.901 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.7 mp -99.98 174.65 6.08 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.382 -179.923 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.519 ' SD ' ' CE1' ' A' ' 54' ' ' PHE . 2.4 tpp -62.06 122.54 15.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.033 179.808 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.12 136.53 28.87 Favored Pre-proline 0 CA--C 1.537 0.446 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.724 -179.241 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.408 ' O ' ' OG1' ' A' ' 19' ' ' THR . 87.0 Cg_exo -40.06 -55.5 1.75 Allowed 'Trans proline' 0 N--CA 1.492 1.391 0 C-N-CA 122.176 1.917 . . . . 0.0 112.402 179.656 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -59.81 -50.1 75.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.277 -179.39 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 mm -48.59 -44.65 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.734 -179.583 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -68.13 -60.95 2.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.609 -179.897 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -50.66 -26.43 5.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.706 -179.78 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.2 t -78.64 -56.51 4.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.507 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.559 ' ND2' ' CE1' ' A' ' 32' ' ' TYR . 1.9 m120 -63.18 -13.97 43.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.526 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -132.47 32.68 3.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.478 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -69.49 -3.06 13.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.519 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 61.92 130.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.553 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.658 ' H ' ' NH1' ' A' ' 128' ' ' ARG . . . 100.85 22.65 10.7 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 pp -78.47 -165.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.0 110.62 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 176.45 -24.87 0.06 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -159.17 120.09 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 0.0 110.472 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -175.49 -82.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.63 179.898 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -173.48 108.74 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.762 -179.928 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 47.6 p -47.19 133.97 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.559 ' CE1' ' ND2' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -108.64 140.23 42.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.335 179.817 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 tp -142.09 111.78 6.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.463 -179.887 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.29 147.03 27.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.021 179.407 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -133.19 134.44 44.08 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.992 0.425 . . . . 0.0 111.053 -179.55 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -134.56 132.01 38.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.029 179.589 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -101.0 144.07 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.027 0.441 . . . . 0.0 110.892 -179.679 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -143.87 118.25 9.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.271 179.91 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -86.4 141.02 29.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.713 -179.823 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 3.6 mm? -75.01 148.7 39.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.412 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -152.92 96.9 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.571 179.908 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 52.96 49.6 19.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.638 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.03 -6.08 22.45 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 179.878 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.9 m -102.74 117.39 34.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.882 0.373 . . . . 0.0 110.598 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.4 p -78.26 144.91 35.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.429 179.772 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.5 t -136.26 118.18 20.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.677 -179.863 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.79 150.03 28.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.39 179.919 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.43 ' O ' ' NH1' ' A' ' 52' ' ' ARG . 51.5 mtt -97.74 158.9 15.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.721 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.493 ' OD2' ' NH1' ' A' ' 10' ' ' ARG . 1.4 m-20 -97.02 -50.35 4.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.759 -179.926 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -102.31 76.58 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.456 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 48.8 t-80 -172.94 -10.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.423 -179.721 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.43 ' NH1' ' O ' ' A' ' 48' ' ' MET . 6.0 ptp85 -100.88 171.05 7.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.623 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -176.65 -163.78 29.53 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.519 ' CE1' ' SD ' ' A' ' 13' ' ' MET . 42.3 p90 -165.92 146.57 6.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.904 0.383 . . . . 0.0 110.736 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.582 ' CD2' ' N ' ' A' ' 55' ' ' LEU . 1.3 pt? -155.4 157.62 37.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.54 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.509 ' N ' ' ND1' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -108.97 170.36 8.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.74 -179.934 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.501 ' O ' ' N ' ' A' ' 59' ' ' ALA . 30.8 p-10 -79.16 -167.86 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.602 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.44 ' O ' ' CB ' ' A' ' 59' ' ' ALA . 24.2 mt-30 54.6 -84.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.641 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 57' ' ' ASN . . . 77.31 -149.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.579 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -134.89 61.25 1.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.563 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.511 HD22 ' CZ ' ' A' ' 74' ' ' ARG . 4.1 m-20 -103.14 48.11 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.514 -179.908 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.441 ' CD1' ' N ' ' A' ' 62' ' ' LEU . 10.4 mp -77.16 -19.11 57.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.611 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.4 mp -67.7 -46.13 73.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.522 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 13.9 t -97.69 -15.97 20.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.568 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.65 19.42 79.15 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.91 -21.11 61.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.586 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.462 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 13.7 p90 -56.33 136.22 53.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.597 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.4 17.76 0.96 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -136.75 144.15 43.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.758 0.313 . . . . 0.0 110.514 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.639 ' CD2' ' H ' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -50.05 165.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.473 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.1 -22.85 52.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.484 179.879 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -56.57 -51.13 69.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.672 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.2 mp -58.65 -56.7 18.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.532 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.511 ' CZ ' HD22 ' A' ' 61' ' ' ASN . 15.6 ttt180 -59.39 -21.78 60.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.691 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.468 ' CD1' ' O ' ' A' ' 75' ' ' PHE . 2.0 t80 -80.64 -34.65 34.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.827 -179.817 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.1 mt -69.24 -30.46 68.61 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.844 0.354 . . . . 0.0 110.477 -179.932 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.82 -16.54 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.542 179.778 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.478 ' CD1' ' N ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -76.99 -14.23 59.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.245 -179.279 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.478 ' N ' ' CD1' ' A' ' 78' ' ' LEU . 6.4 t -41.29 -60.63 1.68 Allowed Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.683 179.885 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.81 -33.39 50.42 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 121.913 1.742 . . . . 0.0 112.001 179.633 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.71 -8.18 9.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 mp -113.02 -47.79 3.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.272 -179.12 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 59.3 43.48 16.73 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -178.904 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.5 mt -35.96 155.99 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.476 -179.469 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 87' ' ' ALA . 3.7 m-20 -114.71 86.1 12.43 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.122 179.792 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.428 ' C ' ' N ' ' A' ' 88' ' ' GLN . 79.3 Cg_exo -45.26 -10.53 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 122.317 2.012 . . . . 0.0 112.56 -179.347 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 85' ' ' ASP . . . -47.07 -20.17 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.912 0.387 . . . . 0.0 110.174 179.649 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -141.59 176.8 8.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.247 179.832 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.3 mm -91.65 154.22 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.029 0.442 . . . . 0.0 110.825 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -137.41 165.96 24.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.609 179.892 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -135.63 105.29 6.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.598 -179.884 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.9 t -93.54 117.97 38.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.257 179.846 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.41 119.03 37.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.06 -179.561 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -100.69 132.91 45.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.191 179.601 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -125.66 103.33 7.78 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.865 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.89 143.58 22.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.843 -178.275 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 128' ' ' ARG . 0.6 OUTLIER -97.08 -22.03 17.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.441 178.721 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 12.9 m95 -111.94 139.81 47.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.367 179.898 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.5 OUTLIER -67.73 159.57 77.99 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.765 -179.691 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' A' ' 99' ' ' SER . 53.6 Cg_exo -42.49 173.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.314 -1.287 0 C-N-CA 122.648 2.232 . . . . 0.0 112.475 179.53 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -131.26 -54.95 1.03 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.394 179.691 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.517 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -132.29 107.24 8.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.793 179.566 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.528 ' O ' ' N ' ' A' ' 108' ' ' GLY . 82.7 p -43.33 -33.61 1.04 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.938 -179.682 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -84.63 -21.77 30.16 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.995 -179.646 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.86 -63.74 1.52 Allowed Glycine 0 CA--C 1.525 0.698 0 C-N-CA 120.275 -0.964 . . . . 0.0 110.833 179.889 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.32 -69.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.765 0.317 . . . . 0.0 111.067 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.55 -24.73 61.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.777 -179.596 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -69.13 -60.11 5.41 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.918 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -60.12 -20.77 59.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.972 0.415 . . . . 0.0 110.384 179.836 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 92.1 t -74.02 -61.92 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.448 ' CG ' ' N ' ' A' ' 112' ' ' ALA . 0.0 OUTLIER -57.07 -42.01 79.84 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.155 -179.743 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.448 ' N ' ' CG ' ' A' ' 111' ' ' ARG . . . -51.8 -54.56 27.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.188 179.635 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 117' ' ' ASN . 5.3 t80 -49.34 -43.62 43.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.199 179.63 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.448 ' C ' ' N ' ' A' ' 116' ' ' GLU . 4.4 mp -65.71 -55.83 15.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.28 179.692 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -46.57 -19.41 0.09 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.05 179.573 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 114' ' ' LEU . 15.1 tt0 -110.04 -23.11 11.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.996 -179.939 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . 0.462 ' C ' ' H ' ' A' ' 119' ' ' HIS . 81.2 m-20 -141.7 55.19 1.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.998 -179.708 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.433 ' C ' ' H ' ' A' ' 120' ' ' VAL . 0.1 OUTLIER -53.81 -9.29 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.787 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.499 ' ND1' ' O ' ' A' ' 119' ' ' HIS . 5.0 p80 -76.43 14.15 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.59 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.433 ' H ' ' C ' ' A' ' 118' ' ' THR . 58.5 t -132.34 133.94 59.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.48 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.54 148.34 22.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.514 -179.882 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.16 112.27 13.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.341 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -114.13 117.93 32.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.961 179.522 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 42.3 mt -105.81 130.77 56.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.302 -179.214 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.413 ' CZ ' ' OE2' ' A' ' 157' ' ' GLU . 87.7 m-85 -121.79 97.82 5.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.225 179.392 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -78.14 108.56 11.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.88 0.371 . . . . 0.0 110.428 -179.873 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -80.23 -44.6 19.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.73 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.658 ' NH1' ' H ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -131.32 145.36 51.83 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.813 0.339 . . . . 0.0 110.588 179.88 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.522 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 1.5 mt -102.31 117.05 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.666 -179.894 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.522 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 14.2 m-85 -159.83 115.85 2.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.478 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -139.72 176.82 8.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.532 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -102.26 -13.71 17.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.594 -179.928 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.409 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.2 OUTLIER -150.12 160.83 32.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.518 179.946 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.22 7.81 0.77 Allowed 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.517 2.145 . . . . 0.0 112.158 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.409 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.5 mt -62.19 -17.72 58.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.557 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 136' ' ' TYR . . . . . 0.601 ' CD1' ' N ' ' A' ' 137' ' ' LYS . 0.6 OUTLIER -54.56 -28.74 48.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.599 -179.977 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . 0.601 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 25.9 ttmt -63.53 -59.22 4.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.588 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -48.46 -44.18 35.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.519 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -51.17 -55.81 16.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.601 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.4 mp -49.02 -42.89 39.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.537 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.75 -52.75 48.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.537 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 142' ' ' MET . . . . . 0.493 ' SD ' ' O ' ' A' ' 103' ' ' SER . 0.6 OUTLIER -46.87 -27.17 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.544 -179.967 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 146' ' ' ALA . 4.9 mt -82.13 -58.8 2.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.536 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -46.28 -21.99 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.624 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . 0.403 ' N ' ' C ' ' A' ' 143' ' ' LEU . 0.8 OUTLIER -85.16 -28.98 25.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.704 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -77.31 -24.09 50.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.567 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 97.52 10.84 52.89 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -76.63 176.1 8.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.728 0.299 . . . . 0.0 110.567 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -105.71 129.24 53.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.58 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 1.1 t -132.14 111.47 18.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.487 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 76.5 p -147.26 162.25 39.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.628 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 2.3 mt -84.94 133.64 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.505 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 153' ' ' MET . . . . . 0.566 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 2.6 ttt -50.11 121.65 5.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.576 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 6.3 p -101.67 -178.6 3.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.561 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -61.32 -55.18 34.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.67 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -50.15 -42.11 50.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.684 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . 0.413 ' OE2' ' CZ ' ' A' ' 125' ' ' PHE . 6.3 mm-40 -67.49 -35.48 79.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.578 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.566 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 1.0 OUTLIER -63.1 -45.32 92.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.55 -179.937 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -59.5 -45.39 91.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.608 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 160' ' ' HIS . . . . . 0.614 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -66.92 -57.62 6.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.444 179.891 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.614 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 6.8 t -55.98 -23.54 33.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.719 -179.902 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 162' ' ' TRP . . . . . 0.623 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 7.2 t-105 -73.87 -71.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.01 -179.62 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 163' ' ' ASP . . . . . 0.623 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -62.7 -14.33 42.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.245 -179.627 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 164' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 52.4 m -82.95 -27.28 30.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.238 -179.612 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -121.36 9.68 10.4 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 116.592 -0.277 . . . . 0.0 111.518 -179.436 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.601 ' C ' ' H ' ' A' ' 168' ' ' HIS . 73.1 t -122.2 143.24 35.54 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.298 0 CA-C-O 120.985 0.422 . . . . 0.0 111.217 179.821 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -71.35 36.19 0.05 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.626 178.923 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 168' ' ' HIS . . . . . 0.722 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.7 OUTLIER -43.0 -59.14 2.13 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.794 179.941 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 169' ' ' GLN . . . . . 0.63 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 7.5 mt-30 42.88 15.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.113 179.669 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 170' ' ' GLY . . . . . 0.722 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 144.34 0.4 1.01 Allowed Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 179.784 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 171' ' ' CYS . . . . . 0.624 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 3.9 m -115.32 88.81 19.46 Favored Pre-proline 0 CA--C 1.531 0.228 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.72 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -82.19 149.62 15.34 Favored 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 122.383 2.056 . . . . 0.0 112.371 -179.425 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 173' ' ' PHE . . . . . 0.478 ' CE1' ' O ' ' A' ' 174' ' ' GLN . 0.4 OUTLIER -99.75 118.94 37.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.465 -179.952 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 174' ' ' GLN . . . . . 0.478 ' O ' ' CE1' ' A' ' 173' ' ' PHE . 4.4 mp0 -81.34 155.99 71.53 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.422 -179.936 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -69.0 134.47 29.65 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 C-N-CA 122.288 1.992 . . . . 0.0 112.152 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -74.78 172.63 11.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.468 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.95 102.34 13.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.464 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 137.84 -6.48 3.48 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.19 -43.22 70.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.324 . . . . 0.0 110.522 179.982 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -62.92 -62.58 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.589 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -51.48 -57.17 9.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -49.8 -56.02 11.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.602 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 23.5 t -50.14 -47.82 54.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.577 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -60.91 -32.79 72.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.539 -179.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -68.77 -55.85 9.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.546 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 26.7 mt -65.01 -57.72 7.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.562 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 59.9 p -46.09 -38.17 7.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.6 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -63.71 -50.03 64.43 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -47.05 -51.61 17.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.834 0.35 . . . . 0.0 110.547 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 190' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 192' ' ' ALA . 0.5 OUTLIER -59.46 -61.86 2.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.614 -179.967 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 1.8 ttm105 -46.55 -16.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.536 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 190' ' ' LEU . . . -94.32 -52.44 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.717 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.5 tp -62.57 -26.57 40.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.637 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.45 -24.59 21.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.575 -179.972 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -136.17 100.15 4.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.579 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -52.17 132.71 33.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.625 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -98.59 173.98 6.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.53 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -145.56 43.1 0.94 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 10.1 p30 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.534 -179.964 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.428 ' C ' HD12 ' A' ' 12' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.816 0.341 . . . . 0.0 110.342 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.597 ' N ' HD12 ' A' ' 12' ' ' LEU . 7.0 mp -94.57 174.67 7.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.216 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.501 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -61.7 150.91 35.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.16 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 1.1 m-20 -67.44 147.31 98.83 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.952 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.42 ' O ' ' OG1' ' A' ' 19' ' ' THR . 72.8 Cg_exo -41.1 -46.75 5.23 Favored 'Trans proline' 0 N--CA 1.49 1.32 0 C-N-CA 122.379 2.053 . . . . 0.0 112.395 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.3 -46.7 48.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.351 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 mm -48.47 -39.39 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.587 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.404 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 33.5 t80 -71.66 -56.32 6.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.751 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -54.36 -64.32 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.646 -179.823 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.7 m -46.72 -42.66 17.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.59 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.513 ' OD1' ' CD1' ' A' ' 32' ' ' TYR . 6.6 t30 -62.19 -52.27 64.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.715 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -84.4 17.54 2.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.608 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -50.09 95.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.528 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -46.36 118.26 1.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.59 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.83 68.32 0.79 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 pt -108.12 -165.92 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.848 0.356 . . . . 0.0 110.684 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.92 -27.62 0.02 OUTLIER Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.441 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 0.0 OUTLIER -172.02 120.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.374 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.441 ' CG ' ' O ' ' A' ' 28' ' ' ARG . 14.2 m-70 -164.7 -86.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.548 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -172.94 110.91 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.694 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.7 HG22 ' CG ' ' A' ' 98' ' ' TRP . 44.9 p -47.04 143.35 3.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.754 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.513 ' CD1' ' OD1' ' A' ' 21' ' ' ASN . 0.7 OUTLIER -118.6 142.4 47.67 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.649 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.7 tp -139.15 110.87 7.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.482 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.21 110.25 21.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.253 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.454 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 36.2 p90 -101.3 134.56 44.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -120.65 129.17 53.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.182 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.775 HG11 ' CE1' ' A' ' 51' ' ' HIS . 12.3 t -104.26 131.01 54.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.943 0.401 . . . . 0.0 110.799 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -143.73 152.06 40.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.369 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -107.51 140.54 40.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.431 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 mp -99.21 121.25 40.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.53 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -136.16 102.21 4.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.552 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.474 ' C ' ' H ' ' A' ' 44' ' ' THR . 59.7 t30 52.63 54.69 10.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.532 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.27 -8.88 1.84 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.474 ' H ' ' C ' ' A' ' 42' ' ' ASN . 0.2 OUTLIER -90.57 100.61 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.519 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 m -84.53 117.06 23.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.577 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.2 t -100.77 105.79 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.9 mttp -69.75 126.37 29.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.597 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 6.6 mtt -80.02 147.15 31.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.475 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.68 -50.15 5.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.57 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -102.2 71.65 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.485 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.796 ' NE2' HD22 ' A' ' 82' ' ' LEU . 31.9 t-80 -166.76 -12.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.647 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.586 HH22 HD21 ' A' ' 12' ' ' LEU . 14.2 ptt85 -100.88 170.72 8.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.609 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.454 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . -179.52 -173.32 44.54 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.649 ' O ' HD12 ' A' ' 55' ' ' LEU . 9.2 p90 -144.4 153.32 41.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 0.0 110.703 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.649 HD12 ' O ' ' A' ' 54' ' ' PHE . 3.1 mp -128.42 178.48 6.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.645 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.422 ' O ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -150.86 137.66 18.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.457 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 56' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.662 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.62 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.889 0.376 . . . . 0.0 110.615 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.0 -37.24 81.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.428 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -50.88 -45.41 60.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.2 mt -71.27 -60.15 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.682 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.6 mtp85 -51.46 -21.61 2.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.439 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 3.7 t80 -75.63 -64.65 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.661 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 tp -49.82 -19.89 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.952 0.406 . . . . 0.0 110.787 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -15.92 10.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.612 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.864 HD23 ' N ' ' A' ' 79' ' ' VAL . 0.1 OUTLIER -95.6 -8.91 33.63 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -178.65 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.864 ' N ' HD23 ' A' ' 78' ' ' LEU . 1.0 OUTLIER -58.93 -42.26 93.04 Favored Pre-proline 0 CA--C 1.53 0.206 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.914 -179.447 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 16.6 Cg_exo -64.47 -20.49 66.07 Favored 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.368 2.045 . . . . 0.0 111.852 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.5 t -87.55 -11.31 49.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.804 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.796 HD22 ' NE2' ' A' ' 51' ' ' HIS . 47.7 mt -99.14 -15.74 18.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.654 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 41.23 52.89 3.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.629 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.9 mt -38.75 155.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.762 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' A' ' 87' ' ' ALA . 62.1 m-20 -116.07 85.31 14.95 Favored Pre-proline 0 CA--C 1.531 0.227 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.501 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -49.1 -7.38 0.07 OUTLIER 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.326 2.017 . . . . 0.0 112.415 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.54 ' HB3' ' NE2' ' A' ' 88' ' ' GLN . . . -42.07 -35.57 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.22 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.54 ' NE2' ' HB3' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -129.84 -170.88 2.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.235 179.79 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.4 mm -90.72 155.93 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 110.587 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.507 ' HB2' HG12 ' A' ' 120' ' ' VAL . 2.3 m-85 -134.88 166.44 22.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.573 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -140.93 103.66 4.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.564 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.38 117.16 42.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.088 179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.2 m -101.11 122.46 43.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.064 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.44 ' CD1' HD21 ' A' ' 122' ' ' LEU . 18.7 m0 -100.6 131.8 46.32 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.453 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.593 ' CE1' ' SG ' ' A' ' 161' ' ' CYS . 47.5 m-85 -123.95 102.75 7.94 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.273 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.97 141.07 29.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.961 -178.099 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.665 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 5.6 p -96.95 -24.36 15.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.75 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.7 ' CG ' HG22 ' A' ' 31' ' ' THR . 13.5 m95 -114.07 133.85 55.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.537 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.433 ' OG ' HG23 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -53.32 163.12 1.01 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.565 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -70.64 172.95 12.49 Favored 'Trans proline' 0 C--N 1.31 -1.489 0 C-N-CA 122.559 2.173 . . . . 0.0 112.216 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.584 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 30.6 p -107.77 -131.73 0.31 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.551 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.584 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -56.22 99.69 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.391 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.887 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 48.0 t -38.55 -25.17 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.804 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.521 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -85.28 -32.59 22.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.484 -179.479 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -78.02 -62.22 2.38 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.21 -69.13 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.733 0.301 . . . . 0.0 111.148 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.887 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -51.32 -54.76 23.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.77 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -42.17 -55.06 4.39 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.16 -49.12 23.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.285 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.403 ' H ' HG23 ' A' ' 110' ' ' VAL . 3.0 t -64.12 -50.65 76.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.706 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -41.8 -59.36 1.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.505 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.52 -40.41 68.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.413 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 117' ' ' ASN . 7.4 t80 -52.75 -48.83 66.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.449 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.429 ' C ' ' N ' ' A' ' 116' ' ' GLU . 17.9 mt -68.53 -53.85 20.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.424 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -46.68 -20.33 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.435 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.429 ' N ' ' C ' ' A' ' 114' ' ' LEU . 0.7 OUTLIER -110.36 -30.37 7.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.035 -179.813 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.562 ' O ' HG22 ' A' ' 120' ' ' VAL . 4.7 m120 -131.42 53.94 1.95 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.911 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.31 4.6 0.69 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.753 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.433 ' H ' ' C ' ' A' ' 117' ' ' ASN . 23.2 p-80 -82.14 12.05 4.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.878 0.37 . . . . 0.0 110.467 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 117' ' ' ASN . 13.0 m -132.31 134.61 59.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.537 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -91.4 116.3 28.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.056 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.44 HD21 ' CD1' ' A' ' 94' ' ' TRP . 0.6 OUTLIER -100.94 119.76 39.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.07 -179.514 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -106.85 123.75 48.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.659 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 21.3 mm -104.71 128.16 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.026 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -126.84 114.38 17.83 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.011 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -97.44 109.86 22.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.06 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.665 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -81.82 -42.92 18.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -135.94 141.56 44.51 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.904 0.383 . . . . 0.0 110.734 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.518 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 0.5 OUTLIER -99.21 125.29 52.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.671 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 4.5 m-85 -172.62 119.68 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.44 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -153.65 -166.06 2.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.613 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -86.65 -31.71 20.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.63 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.98 162.33 44.04 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.471 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.437 ' C ' ' N ' ' A' ' 136' ' ' TYR . 39.0 Cg_endo -69.72 3.8 2.54 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.579 2.186 . . . . 0.0 112.07 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 tp -45.29 -20.25 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.504 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.437 ' N ' ' C ' ' A' ' 134' ' ' PRO . 0.0 OUTLIER -44.66 -25.72 0.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.424 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -61.37 -59.99 4.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.353 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.32 -29.1 57.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.269 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.23 -38.09 89.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.322 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.2 mp -68.24 -39.72 82.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.517 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -73.73 -60.63 2.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.541 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.469 ' SD ' ' O ' ' A' ' 103' ' ' SER . 3.2 ttm -44.8 -37.72 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.559 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.536 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 0.7 OUTLIER -74.3 -40.04 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -52.64 -41.89 64.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.516 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.35 -3.13 15.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.555 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 143' ' ' LEU . . . -90.35 -24.05 20.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.548 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 101.25 -19.08 52.84 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -54.63 159.85 2.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.788 0.328 . . . . 0.0 110.57 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' GLN . . . . . 0.423 ' OE1' ' O ' ' A' ' 149' ' ' GLN . 0.6 OUTLIER -98.07 107.1 19.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.572 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.541 HG13 ' O ' ' A' ' 150' ' ' VAL . 12.4 p -100.73 120.87 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.13 161.31 42.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.547 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.1 tp -88.11 138.03 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.585 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.543 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 2.5 ttt -42.65 135.37 2.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.621 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.57 162.1 16.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.555 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -57.06 -47.43 80.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.699 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -56.31 -38.74 71.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.555 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' GLU . . . . . 0.49 ' O ' ' SG ' ' A' ' 161' ' ' CYS . 91.0 mt-10 -69.53 -32.0 70.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.63 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.543 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.5 OUTLIER -63.39 -44.65 94.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.584 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.74 -50.27 71.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.776 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 160' ' ' HIS . . . . . 0.505 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -64.82 -57.8 7.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.695 -179.843 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.593 ' SG ' ' CE1' ' A' ' 95' ' ' PHE . 83.9 m -51.99 -33.05 36.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.83 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 162' ' ' TRP . . . . . 0.544 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 6.7 t-105 -64.17 -70.13 0.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.972 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 163' ' ' ASP . . . . . 0.545 ' OD1' ' ND1' ' A' ' 168' ' ' HIS . 73.2 m-20 -58.52 -17.08 18.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.603 0.24 . . . . 0.0 111.135 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.519 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 36.7 m -86.68 -43.24 12.75 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.752 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.501 ' O ' ' SD ' ' A' ' 13' ' ' MET . 48.2 m-85 -98.46 19.4 14.55 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.455 HG12 ' N ' ' A' ' 168' ' ' HIS . 94.3 t -137.56 147.09 26.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.925 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 167' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' A' ' 169' ' ' GLN . 0.4 OUTLIER -80.84 35.2 0.36 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.445 0.641 . . . . 0.0 109.357 179.219 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.621 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -45.49 -13.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.931 -179.596 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 169' ' ' GLN . . . . . 0.524 ' N ' ' O ' ' A' ' 167' ' ' ASP . 29.0 mt-30 48.06 12.96 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.909 0.385 . . . . 0.0 110.455 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 170' ' ' GLY . . . . . 0.621 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 113.98 50.54 0.51 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 171' ' ' CYS . . . . . 0.555 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.0 OUTLIER -127.16 150.4 72.14 Favored Pre-proline 0 CA--C 1.537 0.451 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 179.709 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -77.03 172.53 16.0 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 122.434 2.089 . . . . 0.0 112.864 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -91.43 150.71 21.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.107 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -110.2 94.3 17.9 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.819 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -81.38 145.0 14.74 Favored 'Trans proline' 0 N--CA 1.49 1.27 0 C-N-CA 122.158 1.905 . . . . 0.0 112.195 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 176' ' ' TRP . . . . . 0.526 ' HE1' ' CD2' ' A' ' 182' ' ' HIS . 0.2 OUTLIER -72.56 167.3 20.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.319 179.766 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.42 86.48 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 110.663 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 150.04 50.4 0.02 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 6.3 mp -77.47 -49.31 15.05 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.554 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 180' ' ' ASP . . . . . 0.408 ' O ' ' CG ' ' A' ' 184' ' ' GLN . 3.6 t0 -59.2 -22.35 60.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.866 0.365 . . . . 0.0 110.299 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -78.75 -61.78 1.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.18 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 182' ' ' HIS . . . . . 0.526 ' CD2' ' HE1' ' A' ' 176' ' ' TRP . 0.3 OUTLIER -66.93 -32.53 73.85 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.974 -179.362 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 183' ' ' SER . . . . . 0.405 ' N ' ' ND1' ' A' ' 182' ' ' HIS . 85.0 p -67.51 -53.48 28.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.481 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 184' ' ' GLN . . . . . 0.408 ' CG ' ' O ' ' A' ' 180' ' ' ASP . 37.3 mm-40 -60.7 -35.11 75.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.498 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -64.55 -64.48 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.538 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 11.5 mt -54.23 -58.2 8.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.515 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 74.3 m -47.66 -37.25 12.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.53 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -64.18 -35.21 91.69 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 189' ' ' ARG . . . . . 0.657 ' CA ' ' HE ' ' A' ' 189' ' ' ARG . 0.0 OUTLIER -65.83 -56.91 9.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.328 . . . . 0.0 110.427 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 190' ' ' LEU . 1.2 tt -47.67 -56.14 7.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.398 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.05 -49.44 16.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.452 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 192' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -47.2 -52.82 14.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.578 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 193' ' ' ILE . . . . . 0.531 ' N ' HD12 ' A' ' 193' ' ' ILE . 1.7 mp -63.75 -30.16 49.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.567 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.542 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.0 t60 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.8 0.333 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.853 HD22 ' N ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -107.59 173.41 6.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.161 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 63.4 mtm -71.8 156.92 38.77 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.25 139.16 92.2 Favored Pre-proline 0 CA--C 1.537 0.469 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.403 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.408 ' O ' ' OG1' ' A' ' 19' ' ' THR . 77.7 Cg_exo -40.5 -54.25 2.37 Favored 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 122.113 1.875 . . . . 0.0 112.258 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -64.19 -47.46 79.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.973 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.551 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 1.8 mm -48.87 -32.75 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.565 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -81.65 -60.43 2.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.607 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -50.88 -24.18 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.52 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 t -86.16 -42.24 14.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.566 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.551 ' ND2' ' O ' ' A' ' 17' ' ' ILE . 36.8 m-80 -73.36 -5.19 38.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.602 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -133.2 24.2 4.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.494 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -76.12 107.2 8.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.562 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -42.64 113.52 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.588 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.14 66.21 0.82 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -99.57 -176.36 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.598 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -165.42 1.49 0.05 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.43 163.01 18.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 0.0 110.518 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -104.53 94.77 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.636 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -172.81 62.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.655 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.442 HG22 ' CD2' ' A' ' 98' ' ' TRP . 24.0 p -47.06 133.68 11.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -106.1 135.78 46.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.393 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.8 tp -134.51 107.75 7.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.328 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.589 ' SG ' ' CG ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -93.68 118.68 31.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.336 179.779 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.448 ' CE2' ' C ' ' A' ' 53' ' ' GLY . 25.9 p90 -107.17 134.04 50.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.522 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.441 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -127.78 129.41 46.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.169 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.641 HG21 ' ND1' ' A' ' 51' ' ' HIS . 86.3 t -99.34 125.93 52.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.969 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -138.27 157.04 47.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.316 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -126.33 142.55 51.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.474 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.457 HD12 ' HB ' ' A' ' 89' ' ' ILE . 59.1 mt -87.85 144.1 26.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.95 0.405 . . . . 0.0 110.691 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.32 103.16 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.599 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.42 25.06 13.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.519 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.42 -19.94 52.71 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 m -87.19 112.19 21.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.611 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 p -76.47 125.04 28.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.599 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.7 t -111.73 102.5 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.629 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.71 154.36 41.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.454 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -103.37 147.56 26.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.643 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 9.9 p-10 -91.31 -50.37 5.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.549 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.404 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -99.89 69.57 1.57 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.316 179.834 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.641 ' ND1' HG21 ' A' ' 37' ' ' VAL . 10.5 t-80 -171.51 9.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.463 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.554 HH22 ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -111.82 170.74 7.93 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.513 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.448 ' C ' ' CE2' ' A' ' 35' ' ' TYR . . . 176.85 -174.93 47.42 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -146.17 138.35 25.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.652 0.263 . . . . 0.0 110.725 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.4 mt -125.58 169.65 12.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.515 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.04 138.21 43.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.297 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.681 ' HA ' ' HB2' ' A' ' 71' ' ' ALA . 12.5 p-10 . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 121.061 0.458 . . . . 0.0 110.875 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.476 ' NE2' ' CD1' ' A' ' 73' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.529 0.14 0 CA-C-O 120.978 0.418 . . . . 0.0 111.102 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.681 ' HB2' ' HA ' ' A' ' 57' ' ' ASN . . . -80.95 -15.1 57.18 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.974 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.528 ' OE1' ' CZ3' ' A' ' 94' ' ' TRP . 2.2 mm-40 -41.05 -39.99 1.35 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.911 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.476 ' CD1' ' NE2' ' A' ' 70' ' ' HIS . 96.1 mt -71.03 -35.3 71.94 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.699 -0.4 . . . . 0.0 109.995 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 71' ' ' ALA . 0.5 OUTLIER -59.45 -24.24 63.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.983 179.545 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -81.14 -58.51 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.476 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.678 ' O ' HG23 ' A' ' 79' ' ' VAL . 5.0 mt -62.77 -19.74 64.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -55.44 -36.7 66.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.65 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.498 ' CD1' HD21 ' A' ' 82' ' ' LEU . 1.3 pp -79.83 4.71 15.71 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.235 -179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 76' ' ' LEU . 4.3 t -42.48 -59.85 2.57 Favored Pre-proline 0 CA--C 1.534 0.342 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.245 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.409 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 9.8 Cg_endo -52.29 -33.97 57.87 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 121.747 1.631 . . . . 0.0 111.883 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.86 -9.13 3.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.678 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.582 HD22 ' NE2' ' A' ' 51' ' ' HIS . 8.8 mt -107.95 -46.54 3.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.375 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 65.76 49.53 1.7 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.074 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.32 131.52 48.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.247 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.35 159.66 30.69 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.538 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.419 ' O ' ' O ' ' A' ' 87' ' ' ALA . 54.6 Cg_endo -71.51 3.34 3.73 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.518 2.145 . . . . 0.0 112.372 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 86' ' ' PRO . . . -42.11 -94.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.701 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.597 ' H ' ' CD ' ' A' ' 88' ' ' GLN . 0.6 OUTLIER -93.66 -167.76 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.375 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.553 ' H ' HD12 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -94.3 160.68 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.987 0.422 . . . . 0.0 110.257 179.809 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -128.57 140.67 51.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.939 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -125.1 108.09 11.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.312 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.1 t -103.24 124.82 57.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.037 0.446 . . . . 0.0 110.205 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.65 122.72 39.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.786 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.528 ' CZ3' ' OE1' ' A' ' 72' ' ' GLU . 16.3 m0 -103.36 131.88 50.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.523 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -124.8 102.95 7.81 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.9 138.34 39.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.415 -178.461 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.66 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 0.5 OUTLIER -94.73 -23.88 17.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.882 179.237 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.608 ' CZ3' ' CD2' ' A' ' 130' ' ' TYR . 20.8 m95 -114.23 136.44 52.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.488 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -51.28 162.69 0.62 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.626 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' A' ' 99' ' ' SER . 53.9 Cg_exo -42.34 172.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 122.658 2.239 . . . . 0.0 112.309 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.63 -34.81 3.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.355 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.504 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.2 OUTLIER -171.48 109.21 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.694 179.708 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.497 ' O ' ' SD ' ' A' ' 142' ' ' MET . 53.4 p -42.34 -36.56 1.3 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.795 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -84.64 -19.88 32.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.259 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -86.27 -65.33 1.42 Allowed Glycine 0 CA--C 1.526 0.761 0 C-N-CA 120.102 -1.047 . . . . 0.0 111.135 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' CYS . . . . . 0.448 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -79.64 -69.51 0.58 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.747 0.308 . . . . 0.0 110.763 179.815 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -54.6 -20.82 8.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.015 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -68.83 -60.86 5.02 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.283 -1.127 . . . . 0.0 110.283 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -55.08 -23.1 18.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 110.284 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 106' ' ' CYS . 88.3 t -72.62 -62.9 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.727 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.528 ' NH2' ' CE ' ' A' ' 142' ' ' MET . 6.7 ptt180 -53.74 -30.72 45.49 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.168 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.84 -48.72 77.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.245 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -64.84 -38.88 92.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 10.4 mp -74.62 -32.75 62.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.968 0.414 . . . . 0.0 110.727 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -62.14 -36.1 80.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.116 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -100.55 -4.93 27.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.926 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.636 ' O ' HG12 ' A' ' 120' ' ' VAL . 14.1 t-20 -164.29 61.88 0.15 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.051 0.453 . . . . 0.0 110.943 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.29 2.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.254 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.526 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.2 OUTLIER -75.75 3.03 10.63 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.427 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.654 ' O ' HG13 ' A' ' 120' ' ' VAL . 7.1 p -124.46 99.14 5.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.379 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -99.28 148.91 23.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.259 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.608 ' O ' HD12 ' A' ' 122' ' ' LEU . 0.3 OUTLIER -142.59 153.47 43.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.189 0.519 . . . . 0.0 111.644 -179.734 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.478 ' C ' HD12 ' A' ' 124' ' ' ILE . 2.9 mtp180 -107.12 135.79 48.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.067 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.478 HD12 ' C ' ' A' ' 123' ' ' ARG . 1.7 mp -105.33 132.86 51.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.822 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -128.02 115.74 18.95 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.963 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -96.61 110.6 22.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.07 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.66 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -82.86 -40.57 20.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -137.46 138.09 39.39 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.951 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -103.17 115.46 45.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.534 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.608 ' CD2' ' CZ3' ' A' ' 98' ' ' TRP . 10.7 t80 -103.51 153.29 20.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.972 0.415 . . . . 0.0 110.518 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 1.1 m-20 -78.94 74.31 5.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.563 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.18 -59.95 2.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.555 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -159.85 162.14 25.21 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.441 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.469 ' C ' ' H ' ' A' ' 136' ' ' TYR . 40.8 Cg_endo -69.83 -11.44 30.76 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.533 2.155 . . . . 0.0 112.094 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.449 HD13 ' CE1' ' A' ' 102' ' ' PHE . 7.8 mt -66.42 4.57 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.622 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.469 ' H ' ' C ' ' A' ' 134' ' ' PRO . 0.5 OUTLIER -57.48 -54.8 42.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.596 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -56.69 -54.72 42.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.603 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -44.72 -53.48 7.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.618 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -48.53 -50.9 30.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.512 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 140' ' ' LEU . 0.8 OUTLIER -48.08 -51.0 26.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.616 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -61.79 -50.53 71.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.649 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.528 ' CE ' ' NH2' ' A' ' 111' ' ' ARG . 1.7 ttt -47.28 -49.93 22.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.619 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.8 mt -57.22 -41.52 79.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.607 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -60.14 -31.87 70.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.58 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -84.1 -13.51 52.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.554 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.6 -16.39 30.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.588 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.97 -8.16 67.67 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.35 157.93 37.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.761 0.315 . . . . 0.0 110.568 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -95.0 146.39 24.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.575 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 11.4 t -132.05 120.83 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.589 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.6 m -153.11 162.07 41.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.548 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.459 HG23 ' O ' ' A' ' 152' ' ' ILE . 1.7 tp -90.06 130.45 39.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.476 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -41.49 122.25 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.591 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.82 173.66 6.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.629 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 155' ' ' TYR . 1.2 t80 -58.86 -55.73 31.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.586 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -50.07 -44.02 51.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.447 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -62.35 -42.49 99.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.629 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -57.56 -48.94 77.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.575 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -52.3 -50.08 62.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.973 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' HIS . . . . . 0.612 ' CD2' ' N ' ' A' ' 161' ' ' CYS . 0.4 OUTLIER -67.89 -57.84 5.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.827 -179.789 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.612 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 2.5 t -52.19 -26.37 11.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.802 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 162' ' ' TRP . . . . . 0.633 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.0 t-105 -70.86 -70.09 0.33 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.92 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 163' ' ' ASP . . . . . 0.633 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -63.33 -14.3 48.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.612 -179.123 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 23.0 m -82.51 -27.26 31.85 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.911 -0.315 . . . . 0.0 111.194 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.589 ' CG ' ' SG ' ' A' ' 34' ' ' CYS . 58.4 m-85 -121.7 19.65 11.07 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.574 -179.243 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.519 ' C ' ' H ' ' A' ' 168' ' ' HIS . 71.1 t -135.06 155.18 37.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 121.146 0.498 . . . . 0.0 111.711 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 167' ' ' ASP . . . . . 0.463 ' N ' HG12 ' A' ' 166' ' ' VAL . 5.8 m-20 -75.7 32.54 0.11 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.769 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.734 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -38.02 -52.3 1.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.921 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 169' ' ' GLN . . . . . 0.621 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 16.2 mm-40 41.32 15.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.598 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 170' ' ' GLY . . . . . 0.734 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 143.58 -2.79 1.53 Allowed Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 171' ' ' CYS . . . . . 0.587 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 56.2 m -114.09 88.74 15.34 Favored Pre-proline 0 CA--C 1.531 0.238 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -78.68 166.81 23.3 Favored 'Trans proline' 0 C--N 1.315 -1.224 0 C-N-CA 122.076 1.851 . . . . 0.0 112.701 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -51.67 146.14 8.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.751 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -124.98 86.78 56.21 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.272 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -50.95 131.95 36.22 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.289 1.992 . . . . 0.0 112.077 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -99.6 -178.42 3.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.521 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -83.03 100.03 10.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.567 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 143.33 -25.49 2.17 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 2.2 tp -48.57 -52.85 20.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.812 0.339 . . . . 0.0 110.512 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -51.36 -50.07 60.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.582 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -57.68 -61.7 2.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.588 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -44.46 -41.1 6.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 1.3 m -63.1 -45.82 90.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.637 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -56.46 -34.97 67.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.632 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -73.04 -65.07 0.85 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.505 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 9.0 mt -46.94 -42.17 17.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.574 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 11.0 t -68.64 -37.06 79.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.614 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -55.99 -40.94 83.7 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -69.5 -56.0 8.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.808 0.337 . . . . 0.0 110.555 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -50.48 -36.82 35.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.413 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -70.92 -40.28 72.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.573 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -52.59 -54.61 30.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.569 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 193' ' ' ILE . . . . . 0.548 ' N ' HD12 ' A' ' 193' ' ' ILE . 1.7 mp -59.44 -45.34 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.502 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.457 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.53 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 0.4 OUTLIER . . . . . 0 CA--C 1.527 0.095 0 CA-C-O 120.9 0.381 . . . . 0.0 110.501 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.522 ' N ' HD12 ' A' ' 12' ' ' LEU . 6.8 mp -94.74 173.3 7.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.427 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.465 ' SD ' ' CE2' ' A' ' 54' ' ' PHE . 53.1 mtm -63.59 167.19 5.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.088 179.336 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.3 OUTLIER -87.24 145.63 38.29 Favored Pre-proline 0 CA--C 1.536 0.44 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.728 -179.606 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -40.55 -51.33 3.51 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.289 1.993 . . . . 0.0 112.37 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.516 ' CG ' ' N ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -61.9 -49.23 77.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.927 -179.587 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.516 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 3.5 mm -48.68 -53.88 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.057 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -58.24 -60.2 4.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.786 0.327 . . . . 0.0 110.559 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.3 p -49.24 -24.21 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.573 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.491 ' OG ' ' N ' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -69.79 -62.78 1.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.761 -179.739 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.605 ' ND2' ' CD2' ' A' ' 22' ' ' PHE . 7.8 p-10 -71.47 0.41 8.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.763 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.605 ' CD2' ' ND2' ' A' ' 21' ' ' ASN . 34.4 m-85 -133.38 22.14 4.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.485 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.29 0.4 10.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.643 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 56.55 173.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.565 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 49.82 35.73 24.82 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.524 ' CD1' ' HE1' ' A' ' 98' ' ' TRP . 10.3 pt -82.17 -167.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.321 . . . . 0.0 110.684 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.45 -39.14 0.02 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -161.63 120.03 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.716 0.293 . . . . 0.0 110.476 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -160.0 -79.79 0.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.602 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -178.86 111.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.583 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.621 HG22 ' CG ' ' A' ' 98' ' ' TRP . 61.8 p -48.8 130.93 18.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.601 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -106.33 141.1 38.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.521 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.547 HD22 ' OE2' ' A' ' 72' ' ' GLU . 12.2 tp -135.52 111.07 9.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.484 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.0 109.47 21.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.245 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.437 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 23.8 p90 -102.22 142.9 32.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.56 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.709 ' OE2' HG21 ' A' ' 164' ' ' THR . 40.9 mt-10 -132.01 143.47 50.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.506 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.746 HG11 ' CE1' ' A' ' 51' ' ' HIS . 13.4 t -111.66 123.01 67.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.548 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -137.52 138.97 40.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.584 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -95.88 145.96 24.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.539 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mp -101.34 121.34 41.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.555 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -135.34 111.71 9.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.659 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.486 ' C ' ' H ' ' A' ' 44' ' ' THR . 11.2 m-20 54.82 43.98 29.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.569 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.77 -26.94 1.11 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.486 ' H ' ' C ' ' A' ' 42' ' ' ASN . 9.4 m -72.37 113.83 9.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.773 0.32 . . . . 0.0 110.524 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.1 p -89.85 133.36 34.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.651 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.5 t -129.04 125.29 62.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.412 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.07 152.65 21.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.658 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.517 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -99.39 157.7 16.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.513 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.83 -50.34 5.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.59 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -100.15 73.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.335 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.746 ' CE1' HG11 ' A' ' 37' ' ' VAL . 9.3 t-80 -172.85 -7.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.426 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.517 ' NH2' ' O ' ' A' ' 48' ' ' MET . 8.3 ptp180 -100.65 170.89 8.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.56 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.7 176.39 47.19 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 3.9 p90 -141.02 143.39 34.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.686 0.279 . . . . 0.0 110.694 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mp -132.17 163.41 28.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.415 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.93 152.7 51.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.541 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.485 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 7.1 p-10 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.528 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.621 ' NE2' HD11 ' A' ' 73' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.822 0.344 . . . . 0.0 110.588 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -45.01 -45.43 10.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.545 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.547 ' OE2' HD22 ' A' ' 33' ' ' LEU . 5.9 mp0 -42.34 -48.72 5.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.514 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.621 HD11 ' NE2' ' A' ' 70' ' ' HIS . 28.2 mt -65.39 -54.1 33.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.614 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.04 -33.14 10.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.623 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.449 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 6.9 t80 -72.02 -50.03 31.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.681 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.47 -20.1 64.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.873 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.55 -33.88 53.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.119 -179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.652 ' C ' HD12 ' A' ' 78' ' ' LEU . 3.9 pp -98.33 8.22 45.15 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.854 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.569 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -62.99 -41.6 71.89 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 28.9 Cg_exo -58.81 -17.43 36.39 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.107 1.871 . . . . 0.0 111.824 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 85.9 p -59.35 -9.01 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.661 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.606 HD22 ' NE2' ' A' ' 51' ' ' HIS . 12.0 mt -105.67 -47.44 3.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.582 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 65.94 49.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.613 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 37.0 mt -59.53 134.12 56.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.468 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.37 159.27 33.14 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.496 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -70.52 -21.45 29.95 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.436 2.09 . . . . 0.0 112.086 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.31 -83.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.638 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.565 ' H ' ' CD ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -82.17 160.43 23.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.659 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.9 mm -89.66 155.03 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.458 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.488 ' HB2' HG22 ' A' ' 120' ' ' VAL . 12.5 m-85 -137.33 167.2 22.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.825 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -145.18 116.75 8.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.514 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.1 t -98.58 112.79 31.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.275 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.27 117.62 30.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.628 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -100.99 132.13 46.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.714 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -127.12 103.31 7.37 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.91 146.18 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.132 -177.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.656 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 29.6 p -97.42 -28.84 13.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.817 178.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.621 ' CG ' HG22 ' A' ' 31' ' ' THR . 8.2 m95 -112.22 136.57 51.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.545 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.35 162.53 0.65 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.491 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -69.59 172.93 11.58 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.631 2.22 . . . . 0.0 112.224 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.568 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 20.1 p -111.96 -139.13 0.38 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.455 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.568 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -46.66 95.91 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.491 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.891 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 36.9 m -39.36 -25.29 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.687 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.501 ' N ' ' O ' ' A' ' 102' ' ' PHE . 5.7 t90 -85.9 -31.41 22.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.574 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -78.54 -62.08 2.34 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.74 -68.78 0.39 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.785 0.326 . . . . 0.0 111.064 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.891 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -54.45 -58.47 7.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.065 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -42.16 -51.6 5.18 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.42 ' OE2' ' O ' ' A' ' 105' ' ' GLY . 15.3 mt-10 -54.21 -42.71 70.09 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.345 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 100.0 t -68.37 -38.58 79.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.564 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.521 ' NH2' ' OE1' ' A' ' 115' ' ' GLN . 44.8 ttt85 -54.04 -58.99 5.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.425 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.83 -53.87 28.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.42 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.516 ' O ' ' ND2' ' A' ' 117' ' ' ASN . 23.5 t80 -50.41 -36.85 34.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.634 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.464 ' C ' ' N ' ' A' ' 116' ' ' GLU . 3.2 mp -74.72 -58.58 3.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.616 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.521 ' OE1' ' NH2' ' A' ' 111' ' ' ARG . 14.6 mt-30 -47.88 -15.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.317 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.464 ' N ' ' C ' ' A' ' 114' ' ' LEU . 2.6 tp10 -106.41 -46.47 4.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.565 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.516 ' ND2' ' O ' ' A' ' 113' ' ' PHE . 20.7 m-80 -101.38 38.14 1.65 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.81 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -45.49 -15.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.833 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.549 ' CD2' HG23 ' A' ' 120' ' ' VAL . 1.3 p80 -76.21 13.09 0.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.52 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.549 HG23 ' CD2' ' A' ' 119' ' ' HIS . 62.8 t -131.13 144.49 37.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.46 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -91.55 148.44 22.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.599 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.497 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -132.29 112.38 12.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.439 -179.793 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.497 ' N ' HD13 ' A' ' 122' ' ' LEU . 59.1 mtp85 -120.39 117.84 28.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.013 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.6 mt -105.3 133.58 49.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.055 0.455 . . . . 0.0 111.092 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -127.75 118.0 22.95 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.75 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -95.49 112.67 24.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.232 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.656 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -84.26 -40.91 17.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.744 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.438 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -138.26 139.02 39.0 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.783 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.523 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 1.1 mt -95.64 120.92 45.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.595 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.523 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 3.7 m-85 -166.52 116.55 0.93 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.382 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -146.96 -174.67 4.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.486 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' TYR . . . . . 0.419 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 1.3 m-85 -89.14 -12.78 40.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.563 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 132' ' ' TYR . 0.5 OUTLIER -159.65 161.04 27.51 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.446 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.93 44.24 0.51 Allowed 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.494 2.129 . . . . 0.0 111.913 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.8 tp -90.08 -3.66 57.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.712 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -63.51 -28.65 70.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.577 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.86 -53.97 10.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.511 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -50.84 -35.13 30.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.47 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.729 ' HB2' ' OG ' ' A' ' 103' ' ' SER . . . -72.5 -42.12 65.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.569 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.39 -38.4 53.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.445 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -82.57 -60.56 2.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.758 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 3.6 ttt -47.54 -30.96 3.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.688 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 20.4 tp -76.97 -54.28 6.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.484 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.18 -24.25 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.673 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -68.26 -1.81 6.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.727 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -104.39 -23.35 13.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.559 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 105.95 -3.66 38.62 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -62.1 156.99 20.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.346 . . . . 0.0 110.482 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -93.64 133.24 37.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.59 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.21 110.39 16.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.537 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.52 162.19 37.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.757 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 5.2 mt -87.68 133.18 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.382 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 6.6 tpp -41.61 105.64 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.494 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.07 159.07 20.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.514 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -44.44 -54.71 5.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.65 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -51.62 -50.87 59.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.588 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -57.87 -44.9 86.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.616 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -52.09 -46.53 65.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.59 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 173' ' ' PHE . 1.8 tpmt? -56.71 -48.01 78.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.751 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 160' ' ' HIS . . . . . 0.639 ' ND1' ' N ' ' A' ' 161' ' ' CYS . 0.1 OUTLIER -64.69 -57.12 9.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.801 -179.699 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.639 ' N ' ' ND1' ' A' ' 160' ' ' HIS . 0.1 OUTLIER -54.42 -23.87 17.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 -179.327 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 162' ' ' TRP . . . . . 0.618 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 6.2 t-105 -75.08 -70.52 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.9 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 163' ' ' ASP . . . . . 0.618 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 2.1 p30 -62.69 -14.19 41.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.231 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.709 HG21 ' OE2' ' A' ' 36' ' ' GLU . 99.7 m -86.17 -24.49 26.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.458 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -121.3 16.6 11.44 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.444 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.474 HG12 ' N ' ' A' ' 168' ' ' HIS . 52.6 t -136.14 142.65 38.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.767 0.317 . . . . 0.0 110.806 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 167' ' ' ASP . . . . . 0.477 ' C ' ' H ' ' A' ' 169' ' ' GLN . 20.0 p-10 -80.82 42.96 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.953 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.59 ' CD2' ' H ' ' A' ' 171' ' ' CYS . 0.1 OUTLIER -53.27 -8.52 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.425 -179.718 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 169' ' ' GLN . . . . . 0.477 ' H ' ' C ' ' A' ' 167' ' ' ASP . 31.2 mt-30 46.79 13.44 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.749 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 170' ' ' GLY . . . . . 0.551 ' H ' ' CG ' ' A' ' 168' ' ' HIS . . . 113.71 37.91 1.24 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 171' ' ' CYS . . . . . 0.59 ' H ' ' CD2' ' A' ' 168' ' ' HIS . 1.7 m -127.15 81.01 70.74 Favored Pre-proline 0 C--N 1.332 -0.179 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -48.93 148.51 9.04 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 122.478 2.119 . . . . 0.0 112.278 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.519 ' CE1' ' O ' ' A' ' 174' ' ' GLN . 0.2 OUTLIER -95.61 120.16 35.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.597 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 174' ' ' GLN . . . . . 0.519 ' O ' ' CE1' ' A' ' 173' ' ' PHE . 21.7 mt-30 -77.51 156.33 80.96 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.364 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.24 140.98 34.92 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 122.372 2.048 . . . . 0.0 112.143 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 1.2 p90 -83.37 -173.06 4.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.414 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -87.45 86.68 7.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.623 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 144.67 -12.47 1.97 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.4 tt -51.33 -42.41 61.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.771 0.32 . . . . 0.0 110.585 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 180' ' ' ASP . . . . . 0.45 ' N ' ' OD1' ' A' ' 180' ' ' ASP . 1.8 m-20 -68.03 -61.16 1.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.643 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -46.53 -52.9 12.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.608 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -55.39 -53.61 54.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.515 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 68.1 m -50.21 -37.01 33.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.643 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -73.5 -55.0 6.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.605 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -47.53 -56.02 7.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.494 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 7.4 mt -56.55 -53.8 53.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.496 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 75.4 p -51.82 -29.23 18.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.471 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -66.66 -52.03 37.24 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -59.04 -56.04 27.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.818 0.342 . . . . 0.0 110.547 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -50.01 -59.31 4.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.497 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 33.9 ttm-85 -46.74 -49.66 19.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.603 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -55.15 -37.59 67.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.565 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 36.5 mt -75.77 -31.9 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.578 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.586 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.468 ' C ' HD22 ' A' ' 12' ' ' LEU . 56.6 t-80 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.789 0.328 . . . . 0.0 110.409 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.871 HD22 ' N ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -108.63 172.87 6.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.893 -179.861 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.0 mtm -88.88 133.19 34.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.197 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.18 145.12 13.68 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.589 -179.44 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -41.02 -55.46 2.07 Favored 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 122.249 1.966 . . . . 0.0 112.248 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -51.03 69.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.152 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.429 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 1.8 mm -48.58 -33.44 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.559 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -77.22 -60.9 2.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.521 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -46.39 -40.89 12.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.581 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.7 t -66.52 -44.3 82.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.56 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.466 ' OD1' ' CE1' ' A' ' 32' ' ' TYR . 68.4 m-20 -66.93 -11.53 56.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.64 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -133.23 28.47 4.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.464 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -68.55 118.34 11.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.523 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -41.51 115.62 0.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.52 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.84 81.07 1.39 Allowed Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.77 HD12 ' NE1' ' A' ' 98' ' ' TRP . 4.5 pt -103.56 -173.98 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.84 0.352 . . . . 0.0 110.575 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.416 ' H ' ' H ' ' A' ' 28' ' ' ARG . . . 166.46 9.66 0.03 OUTLIER Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.545 ' O ' ' CZ2' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -79.35 172.42 13.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 110.715 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.458 ' ND1' ' N ' ' A' ' 29' ' ' HIS . 9.2 p-80 -105.79 60.92 0.66 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.934 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -150.72 52.71 0.87 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.66 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.6 m -46.21 137.77 5.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.517 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.466 ' CE1' ' OD1' ' A' ' 21' ' ' ASN . 1.3 m-85 -106.79 143.21 35.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.453 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.551 HD22 ' OE2' ' A' ' 72' ' ' GLU . 9.3 tp -135.74 111.95 9.73 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.49 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.414 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -105.49 115.83 30.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.869 179.306 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.459 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 26.3 p90 -112.98 147.39 37.24 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.176 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -148.91 137.18 20.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.26 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -95.84 146.08 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.673 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -144.25 118.95 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.394 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -79.52 133.48 36.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.407 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 mp -91.79 130.57 37.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.549 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -135.24 102.78 5.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.542 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 55.36 38.6 30.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.625 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.98 -27.13 9.41 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 m -72.16 122.07 20.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.524 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 p -91.67 116.86 29.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.605 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.0 t -103.03 100.67 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.549 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -78.65 125.63 29.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.485 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.6 mtm -87.9 140.52 29.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.619 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.89 -41.51 13.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.43 62.72 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.436 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.663 ' NE2' HD13 ' A' ' 82' ' ' LEU . 59.9 t-80 -170.95 2.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.517 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.424 ' H ' ' H ' ' A' ' 51' ' ' HIS . 25.6 ptt180 -101.01 151.5 21.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.579 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.81 174.85 36.68 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -145.21 141.6 28.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 110.73 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mt -126.96 177.71 6.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.416 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -136.43 145.12 44.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.603 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 56' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.764 0.316 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.51 -31.77 72.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.344 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.551 ' OE2' HD22 ' A' ' 33' ' ' LEU . 20.4 mp0 -53.2 -52.24 59.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.385 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 73' ' ' LEU . 9.7 mp -57.46 -46.43 83.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.294 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -34.43 69.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.555 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.413 ' C ' ' N ' ' A' ' 77' ' ' ASP . 9.6 t80 -74.67 -64.36 1.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.453 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 tp -47.32 -18.99 0.13 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.67 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 75' ' ' PHE . 13.8 t70 -67.0 -53.9 26.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.647 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 pp -77.95 -14.38 59.55 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.399 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.424 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 3.8 t -48.26 -59.41 6.02 Favored Pre-proline 0 CA--C 1.534 0.355 0 C-N-CA 120.666 -0.413 . . . . 0.0 111.061 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 9.6 Cg_endo -52.3 -25.97 25.78 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 121.777 1.652 . . . . 0.0 112.057 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.2 p -53.79 -12.23 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.459 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.663 HD13 ' NE2' ' A' ' 51' ' ' HIS . 10.5 mt -94.35 -26.33 16.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.344 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.418 ' CB ' ' O ' ' A' ' 82' ' ' LEU . 5.3 tt0 75.6 28.52 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.655 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 mt -42.4 104.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.325 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.43 162.9 28.53 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.735 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.91 4.08 3.42 Favored 'Trans proline' 0 C--N 1.309 -1.54 0 C-N-CA 122.73 2.287 . . . . 0.0 112.279 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -38.75 -63.63 0.5 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -127.87 179.6 5.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.389 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.2 mm -84.77 152.94 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.043 0.449 . . . . 0.0 110.556 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -135.36 172.09 13.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.548 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.617 ' NH1' ' NH2' ' A' ' 123' ' ' ARG . 8.6 ttt180 -149.69 106.7 3.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.595 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.2 t -94.0 115.49 32.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.368 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.48 121.99 42.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.749 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 32.3 m0 -100.78 131.16 46.8 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.455 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -118.79 102.82 9.1 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.94 148.3 14.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.169 0.509 . . . . 0.0 111.789 -178.239 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.598 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 15.5 p -96.64 -23.56 16.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.14 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.77 ' NE1' HD12 ' A' ' 26' ' ' ILE . 4.8 m95 -112.11 170.0 8.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.504 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.663 ' OG ' HG23 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -79.79 158.65 72.76 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.528 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.434 ' O ' ' O ' ' A' ' 99' ' ' SER . 56.2 Cg_exo -42.48 172.92 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.304 0 C-N-CA 122.546 2.164 . . . . 0.0 112.375 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 102' ' ' PHE . 3.4 p -152.33 100.41 2.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.437 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.633 ' HA ' HD23 ' A' ' 135' ' ' LEU . 0.1 OUTLIER 76.27 86.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.388 0.613 . . . . 0.0 109.813 -179.596 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.889 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 92.8 p -51.22 -29.83 15.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.41 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -81.71 -21.44 37.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.775 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -84.74 -58.83 2.07 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 11.9 m -78.25 -65.47 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.721 0.296 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.889 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -54.67 -25.36 26.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.708 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -70.59 -57.85 6.3 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -57.73 -40.66 80.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.19 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 85.5 t -68.79 -54.02 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.182 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -41.91 -58.79 1.92 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.241 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.85 -40.03 69.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.45 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 117' ' ' ASN . 10.2 t80 -53.96 -40.38 66.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.74 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.44 ' C ' ' N ' ' A' ' 116' ' ' GLU . 25.7 mt -75.62 -55.2 5.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.572 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -46.66 -19.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.254 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 114' ' ' LEU . 2.5 mt-10 -110.0 -38.61 5.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.644 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.569 ' O ' HG12 ' A' ' 120' ' ' VAL . 50.9 m-80 -132.59 61.73 1.66 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.908 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.26 5.66 3.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.647 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.402 ' CD2' ' C ' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -76.21 5.77 6.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.458 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.569 HG12 ' O ' ' A' ' 117' ' ' ASN . 10.2 p -122.0 142.98 36.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.355 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -91.13 117.03 29.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.357 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.568 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -105.45 120.83 42.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.488 -179.685 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.617 ' NH2' ' NH1' ' A' ' 91' ' ' ARG . 30.6 mtt180 -127.59 131.85 49.89 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.836 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.425 ' CD1' HD12 ' A' ' 122' ' ' LEU . 1.6 mp -106.23 131.86 54.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.693 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.522 ' CE1' ' OE2' ' A' ' 157' ' ' GLU . 63.5 m-85 -125.42 100.77 6.64 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.343 178.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -90.57 107.78 19.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.515 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.598 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -72.52 -39.6 67.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.423 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.544 ' CB ' HD11 ' A' ' 26' ' ' ILE . 5.6 tpp180 -131.95 164.64 25.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.177 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.663 HG23 ' OG ' ' A' ' 99' ' ' SER . 4.8 mp -124.21 114.73 42.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.821 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.523 ' CD1' ' O ' ' A' ' 129' ' ' ILE . 27.9 m-85 -153.37 109.1 3.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.434 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -140.84 -177.2 4.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.576 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -106.74 -57.47 2.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.711 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 133' ' ' ASP . 0.0 OUTLIER -98.49 162.62 21.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.573 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -70.67 12.17 0.44 Allowed 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.59 2.193 . . . . 0.0 112.202 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.633 HD23 ' HA ' ' A' ' 102' ' ' PHE . 1.1 mp -57.77 -20.13 32.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.63 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.625 ' CD1' ' N ' ' A' ' 137' ' ' LYS . 0.5 OUTLIER -53.88 -31.05 48.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.368 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.625 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 12.6 ttmt -69.34 -39.72 77.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.266 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.65 -26.62 68.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.313 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -70.79 -55.2 9.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.347 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.2 mt -54.14 -31.98 53.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.465 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -80.57 -60.7 2.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.677 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.9 mmm -52.44 -21.61 3.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.366 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 9.3 mt -78.44 -59.65 2.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.364 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -49.83 -29.39 7.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.523 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.97 -42.73 47.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.435 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.49 -24.0 65.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.507 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 96.89 65.11 0.92 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -136.99 152.36 50.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.749 0.309 . . . . 0.0 110.429 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -91.47 104.89 17.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.667 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -104.31 113.82 42.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.569 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.5 m -151.31 161.53 42.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.516 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -81.93 137.65 20.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.458 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.59 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 5.8 ttm -49.59 143.57 6.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.491 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 33.4 p -110.61 172.36 6.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.557 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -63.84 -41.17 97.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.528 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -62.07 -47.24 85.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.444 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' GLU . . . . . 0.522 ' OE2' ' CE1' ' A' ' 125' ' ' PHE . 12.6 mt-10 -59.11 -31.77 69.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.454 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.59 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.7 OUTLIER -64.72 -44.0 91.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.446 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -57.66 -47.01 83.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.634 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' HIS . . . . . 0.596 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -70.44 -55.48 8.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.677 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.596 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 9.7 t -54.29 -23.62 15.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 162' ' ' TRP . . . . . 0.63 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.7 t-105 -73.96 -70.3 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.973 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 163' ' ' ASP . . . . . 0.63 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 3.9 p30 -64.38 -14.32 55.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 -179.416 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 88.7 m -83.77 -24.92 30.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.928 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -121.13 18.74 11.6 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.147 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.501 ' C ' ' H ' ' A' ' 168' ' ' HIS . 72.4 t -139.15 132.63 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.859 0.361 . . . . 0.0 110.803 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 167' ' ' ASP . . . . . 0.5 ' C ' ' H ' ' A' ' 169' ' ' GLN . 2.0 p30 -72.56 41.06 0.09 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.172 0.51 . . . . 0.0 109.763 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.559 ' CG ' ' H ' ' A' ' 171' ' ' CYS . 0.1 OUTLIER -52.51 -8.72 0.09 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.304 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 169' ' ' GLN . . . . . 0.5 ' H ' ' C ' ' A' ' 167' ' ' ASP . 39.9 mm-40 46.68 14.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.559 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 170' ' ' GLY . . . . . 0.553 ' H ' ' CG ' ' A' ' 168' ' ' HIS . . . 112.58 37.56 1.42 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 171' ' ' CYS . . . . . 0.559 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 2.4 m -127.1 80.64 71.26 Favored Pre-proline 0 C--N 1.333 -0.148 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -52.02 165.39 0.88 Allowed 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.616 2.21 . . . . 0.0 112.227 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.533 ' CE2' ' O ' ' A' ' 174' ' ' GLN . 0.0 OUTLIER -122.79 134.46 54.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.189 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 174' ' ' GLN . . . . . 0.533 ' O ' ' CE2' ' A' ' 173' ' ' PHE . 11.1 mt-30 -91.51 152.57 43.67 Favored Pre-proline 0 C--N 1.33 -0.281 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.456 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -71.94 153.69 58.17 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.263 1.976 . . . . 0.0 112.194 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 176' ' ' TRP . . . . . 0.566 ' CE2' ' CD2' ' A' ' 179' ' ' LEU . 14.6 p90 -84.47 132.64 34.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.492 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -45.33 95.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.564 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 176' ' ' TRP . . . 154.05 -15.46 0.59 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 179' ' ' LEU . . . . . 0.566 ' CD2' ' CE2' ' A' ' 176' ' ' TRP . 0.2 OUTLIER -47.77 -47.9 30.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.768 0.318 . . . . 0.0 110.514 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 180' ' ' ASP . . . . . 0.405 ' CG ' ' N ' ' A' ' 181' ' ' GLU . 17.7 p-10 -53.08 -53.04 56.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.64 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 181' ' ' GLU . . . . . 0.405 ' N ' ' CG ' ' A' ' 180' ' ' ASP . 44.9 mt-10 -61.52 -54.05 48.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.756 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -51.87 -60.78 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.628 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 92.0 p -45.05 -43.54 9.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.06 -36.53 79.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.541 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -71.77 -58.63 3.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.593 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 42.9 mt -59.43 -61.28 2.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.609 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 24.0 p -49.86 -36.58 27.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -55.65 -51.48 54.66 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 189' ' ' ARG . . . . . 0.568 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 1.5 mtm180 -59.34 -61.52 2.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.759 0.314 . . . . 0.0 110.694 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.4 tp -45.37 -53.54 8.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.605 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 18.7 mmm-85 -54.6 -29.18 50.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 192' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -64.71 -47.85 76.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.456 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 193' ' ' ILE . . . . . 0.534 ' N ' HD12 ' A' ' 193' ' ' ILE . 1.7 mp -59.64 -35.2 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.505 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 67.4 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.657 -179.948 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.76 0.314 . . . . 0.0 110.546 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.664 HD23 ' N ' ' A' ' 166' ' ' VAL . 8.6 mp -107.38 173.65 6.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.243 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.484 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 0.5 OUTLIER -62.71 157.49 20.87 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.63 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.81 150.13 58.37 Favored Pre-proline 0 CA--C 1.534 0.335 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.698 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -41.85 -55.45 2.38 Favored 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.209 1.939 . . . . 0.0 112.148 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -52.27 -51.07 60.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.189 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.4 mm -51.69 -34.54 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.859 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -82.44 -61.27 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.948 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.76 -24.17 8.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.693 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.9 p -82.4 -62.76 1.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.713 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.579 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 0.5 OUTLIER -54.18 -33.37 57.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.553 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -103.66 24.49 11.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.574 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -68.46 74.05 0.24 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.537 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 46.72 -136.5 0.79 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.542 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.68 136.95 48.81 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.3 pt -134.28 -175.58 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.654 0.264 . . . . 0.0 110.352 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 175.57 44.97 0.06 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.778 ' H ' ' HE ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -125.99 142.06 51.68 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.871 0.367 . . . . 0.0 110.166 179.523 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.412 ' ND1' ' N ' ' A' ' 29' ' ' HIS . 7.7 m80 -63.61 80.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.763 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -166.9 36.96 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.592 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.784 HG22 ' CD2' ' A' ' 98' ' ' TRP . 3.1 p -46.52 155.79 0.21 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -122.26 145.13 48.51 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.719 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.705 HD22 ' OE2' ' A' ' 72' ' ' GLU . 7.2 tp -139.94 111.97 7.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.146 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.435 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -104.25 131.91 51.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.089 179.592 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.599 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 10.3 p90 -127.28 135.37 50.48 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.128 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.494 ' OE1' HG21 ' A' ' 164' ' ' THR . 0.1 OUTLIER -135.98 136.96 40.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.898 179.443 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -95.52 144.29 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.005 0.431 . . . . 0.0 110.9 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -147.1 118.39 7.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.347 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.5 ptt85 -86.75 148.75 25.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.476 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mt -103.6 99.46 9.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.607 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.62 100.48 12.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.594 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 50.53 58.02 5.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.64 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 71.85 -6.51 9.32 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.97 102.5 15.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 110.58 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.33 103.58 3.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.563 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.7 t -101.29 106.34 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.566 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -80.86 137.7 36.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.451 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.5 mtm -102.33 141.62 34.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.694 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -92.34 -50.47 5.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.616 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -76.72 49.81 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.306 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.765 ' NE2' HD12 ' A' ' 82' ' ' LEU . 40.2 t-80 -169.91 67.02 0.05 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.22 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.635 ' NH2' HD21 ' A' ' 12' ' ' LEU . 25.2 ptt85 -166.89 167.55 14.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.289 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -168.67 -174.88 37.72 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 9.6 p90 -152.7 135.84 15.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.689 0.28 . . . . 0.0 110.707 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mp -126.05 163.15 23.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.461 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -128.8 143.58 50.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.488 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 t30 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.552 -179.904 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.401 ' ND1' ' N ' ' A' ' 70' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.895 0.378 . . . . 0.0 110.513 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.16 -29.13 65.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.455 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.705 ' OE2' HD22 ' A' ' 33' ' ' LEU . 3.4 mp0 -51.2 -47.07 62.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.612 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 25.2 mt -69.47 -58.07 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.807 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 48.8 mtt-85 -44.2 -43.72 7.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.691 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.599 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 32.5 t80 -61.58 -51.18 69.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.593 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.5 tp -56.59 -19.47 16.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.471 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.9 -45.2 68.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.476 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.85 3.81 55.01 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.304 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.455 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.6 t -55.72 -49.19 94.21 Favored Pre-proline 0 CA--C 1.535 0.388 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.077 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 36.4 Cg_endo -70.66 -16.47 33.78 Favored 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 121.337 1.358 . . . . 0.0 111.745 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.2 p -56.75 -22.09 33.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.216 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.765 HD12 ' NE2' ' A' ' 51' ' ' HIS . 4.0 mm? -72.42 -38.9 68.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.178 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.486 ' CB ' ' O ' ' A' ' 82' ' ' LEU . 4.0 tt0 81.59 46.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.877 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.414 HD23 ' CE2' ' A' ' 90' ' ' TYR . 1.3 mp -68.06 155.95 38.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.21 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -122.26 159.05 53.85 Favored Pre-proline 0 CA--C 1.53 0.181 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.567 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -74.84 -1.98 11.9 Favored 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.46 2.107 . . . . 0.0 112.227 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.1 -77.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.786 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.455 ' N ' ' OE1' ' A' ' 88' ' ' GLN . 3.3 mp0 -107.98 179.84 4.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.322 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.0 mm -84.62 153.33 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.377 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.604 ' HB2' HG22 ' A' ' 120' ' ' VAL . 20.5 m-85 -126.12 143.79 50.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.914 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -128.59 103.9 7.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.497 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.2 t -95.41 127.54 47.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.055 0.455 . . . . 0.0 110.432 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.3 120.55 39.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.972 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -100.84 132.51 46.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.252 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -124.84 103.71 8.22 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.81 146.5 16.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.43 . . . . 0.0 112.05 -177.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.675 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 0.4 OUTLIER -96.9 -25.69 15.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.756 178.906 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.784 ' CD2' HG22 ' A' ' 31' ' ' THR . 19.9 m95 -112.87 143.56 43.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.111 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.433 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.4 OUTLIER -74.79 164.51 60.89 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.605 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 99' ' ' SER . 71.1 Cg_exo -42.27 171.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.549 2.166 . . . . 0.0 112.202 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -124.05 -48.53 1.87 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.299 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.525 ' O ' ' N ' ' A' ' 105' ' ' GLY . 2.4 t80 -140.38 106.56 5.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.829 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.881 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 89.1 p -40.5 -35.25 0.43 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.046 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -84.78 -23.68 29.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.312 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -84.79 -62.0 1.72 Allowed Glycine 0 CA--C 1.526 0.745 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.236 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.69 -62.84 1.31 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.654 0.264 . . . . 0.0 110.966 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.881 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -57.42 -37.75 73.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.92 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -56.59 -62.71 6.05 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -51.46 -41.13 60.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.766 0.317 . . . . 0.0 110.712 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 92.8 t -68.2 -34.96 69.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.702 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -62.45 -58.95 5.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.567 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -48.96 -51.45 30.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.402 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.52 ' O ' ' N ' ' A' ' 117' ' ' ASN . 41.3 t80 -52.78 -47.83 67.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.592 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.408 ' C ' ' N ' ' A' ' 116' ' ' GLU . 2.1 mt -63.33 -58.69 6.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.717 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -48.06 -19.6 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.547 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 114' ' ' LEU . 4.2 tp10 -107.61 -27.31 10.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 113' ' ' PHE . 67.1 m-80 -117.51 40.1 3.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 16.2 p -45.14 -22.57 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.795 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.78 ' CD2' HG23 ' A' ' 120' ' ' VAL . 0.1 OUTLIER -77.67 8.9 3.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.931 0.396 . . . . 0.0 110.508 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.78 HG23 ' CD2' ' A' ' 119' ' ' HIS . 40.2 t -135.24 97.54 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.545 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -96.59 148.89 22.37 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.595 ' O ' HD12 ' A' ' 122' ' ' LEU . 0.3 OUTLIER -143.62 153.31 42.39 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.858 -179.678 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.617 ' C ' HD12 ' A' ' 124' ' ' ILE . 7.9 ttp180 -114.35 146.51 40.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.079 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.617 HD12 ' C ' ' A' ' 123' ' ' ARG . 1.8 mp -112.82 140.02 34.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.097 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -127.5 99.03 5.44 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.167 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -78.54 114.33 17.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.602 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.675 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -85.24 -42.48 14.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.653 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.48 HH22 ' CE1' ' A' ' 182' ' ' HIS . 0.1 OUTLIER -137.07 152.96 50.64 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.959 -179.769 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -113.69 132.37 62.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.487 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -177.63 126.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.502 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.457 ' C ' ' H ' ' A' ' 133' ' ' ASP . 0.6 OUTLIER 174.59 133.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.527 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.72 10.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.498 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.513 ' C ' ' H ' ' A' ' 135' ' ' LEU . 69.3 m-20 -124.8 79.86 63.32 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.541 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.5 ' C ' ' H ' ' A' ' 136' ' ' TYR . 51.4 Cg_exo -51.61 -1.81 0.06 OUTLIER 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.723 2.282 . . . . 0.0 112.622 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.513 ' H ' ' C ' ' A' ' 133' ' ' ASP . 2.1 mt -54.36 -6.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.735 0.303 . . . . 0.0 110.727 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.503 ' CG ' ' N ' ' A' ' 137' ' ' LYS . 0.4 OUTLIER -43.04 -38.7 2.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.87 -179.854 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.503 ' N ' ' CG ' ' A' ' 136' ' ' TYR . 2.6 ptpt -51.11 -60.4 3.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.495 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -54.73 -36.64 64.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.483 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.53 -30.93 71.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.563 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.441 HD11 HG11 ' A' ' 150' ' ' VAL . 0.1 OUTLIER -69.42 -49.15 57.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.474 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -71.69 -53.29 14.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.509 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -45.34 -54.92 6.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.389 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 36.7 tp -56.83 -44.38 82.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.577 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -55.37 -23.64 25.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.621 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -84.81 3.15 39.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -101.62 -15.03 17.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.563 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 106.81 -26.78 18.4 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -56.95 158.25 5.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.515 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -104.61 146.13 29.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.664 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.441 HG11 HD11 ' A' ' 140' ' ' LEU . 46.6 t -132.09 126.67 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.496 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.26 161.92 41.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.628 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.493 HG21 ' OG ' ' A' ' 187' ' ' SER . 1.1 tp -87.11 149.94 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.424 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 8.6 mmm -56.89 153.88 10.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.801 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 21.5 p -132.15 142.52 49.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.319 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -40.69 -47.13 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.688 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.46 -53.93 52.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.461 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -54.41 -33.33 59.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.391 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.7 -39.47 94.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.33 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -61.24 -45.55 94.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.462 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' HIS . . . . . 0.6 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -70.12 -53.23 18.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.445 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.6 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 4.6 t -58.35 -23.55 57.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.655 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 162' ' ' TRP . . . . . 0.572 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 4.8 t-105 -71.74 -64.75 0.87 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 163' ' ' ASP . . . . . 0.572 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -69.1 -14.22 62.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.385 -179.208 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.518 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 96.3 m -85.02 -23.71 28.52 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.323 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.484 ' O ' ' SD ' ' A' ' 13' ' ' MET . 11.2 m-85 -121.54 18.76 11.26 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.524 -179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.664 ' N ' HD23 ' A' ' 12' ' ' LEU . 88.5 t -137.54 132.84 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.246 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 167' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' A' ' 169' ' ' GLN . 1.4 p-10 -73.68 36.36 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.168 0.509 . . . . 0.0 109.901 179.335 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.706 ' CG ' ' H ' ' A' ' 171' ' ' CYS . 0.3 OUTLIER -49.25 -11.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.932 -179.601 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 169' ' ' GLN . . . . . 0.483 ' H ' ' C ' ' A' ' 167' ' ' ASP . 1.9 mt-30 49.3 9.75 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.922 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 170' ' ' GLY . . . . . 0.652 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 122.18 37.74 0.63 Allowed Glycine 0 CA--C 1.528 0.852 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 171' ' ' CYS . . . . . 0.706 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.6 OUTLIER -127.54 88.81 52.77 Favored Pre-proline 0 CA--C 1.536 0.414 0 N-CA-C 110.501 -0.185 . . . . 0.0 110.501 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -75.39 131.97 14.41 Favored 'Trans proline' 0 C--N 1.315 -1.22 0 C-N-CA 121.73 1.62 . . . . 0.0 112.171 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.528 ' CD1' ' O ' ' A' ' 173' ' ' PHE . 0.0 OUTLIER -81.68 146.0 30.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.786 -179.657 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 174' ' ' GLN . . . . . 0.485 ' O ' ' CE2' ' A' ' 173' ' ' PHE . 0.0 OUTLIER -94.46 157.27 37.56 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.445 -179.759 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -69.19 132.36 24.06 Favored 'Trans proline' 0 N--CA 1.492 1.441 0 C-N-CA 122.489 2.126 . . . . 0.0 112.054 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -70.32 153.73 42.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.58 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.85 86.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.536 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 158.3 -25.84 0.4 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 179' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 179' ' ' LEU . 0.7 OUTLIER -41.78 -43.75 3.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.832 0.349 . . . . 0.0 110.606 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.19 -62.77 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.666 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -58.75 -55.28 37.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.497 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 182' ' ' HIS . . . . . 0.48 ' CE1' HH22 ' A' ' 128' ' ' ARG . 16.6 m-70 -45.4 -54.01 7.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.506 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 63.5 p -50.72 -48.59 58.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.626 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -60.8 -37.13 80.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.584 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -70.91 -65.18 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.615 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 3.5 mt -52.18 -52.56 51.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.581 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 187' ' ' SER . . . . . 0.493 ' OG ' HG21 ' A' ' 152' ' ' ILE . 8.7 m -60.51 -37.79 82.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.537 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -53.02 -53.92 31.5 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -56.5 -50.67 71.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.843 0.354 . . . . 0.0 110.612 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -59.7 -29.48 68.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.482 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 13.6 ttm-85 -78.69 -20.43 50.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -80.34 -51.3 9.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.653 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 193' ' ' ILE . . . . . 0.583 HG23 ' N ' ' A' ' 194' ' ' LEU . 16.1 tt -62.27 -46.41 96.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.586 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 194' ' ' LEU . . . . . 0.583 ' N ' HG23 ' A' ' 193' ' ' ILE . 4.0 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.522 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.464 0.261 0 CA-C-O 121.665 0.745 . . . . 0.0 109.119 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.617 HD12 ' C ' ' A' ' 166' ' ' VAL . 0.1 OUTLIER -100.04 166.68 10.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.471 -1.24 . . . . 0.0 109.394 -179.061 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.6 ptp -62.09 168.02 3.57 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.824 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.91 154.83 75.51 Favored Pre-proline 0 CA--C 1.536 0.416 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.069 -178.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -43.21 -56.06 2.5 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.552 2.168 . . . . 0.0 112.455 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -51.01 71.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.853 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.2 mm -48.95 -31.39 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.681 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -82.44 -61.04 2.0 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.68 -33.28 22.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.719 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.3 p -80.67 -36.56 32.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.457 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.536 ' ND2' ' CG ' ' A' ' 32' ' ' TYR . 10.9 t30 -67.66 -35.03 78.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.56 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -105.22 18.35 22.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.591 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -43.79 113.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.597 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.451 ' OD1' ' NH1' ' A' ' 128' ' ' ARG . 12.0 t30 -46.26 118.33 1.89 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.619 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.46 98.61 0.04 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.463 HD11 ' CD2' ' A' ' 130' ' ' TYR . 1.2 pp -111.18 -175.68 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.859 0.362 . . . . 0.0 110.636 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.09 -8.89 0.07 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.521 ' CD ' ' H ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -83.49 173.13 11.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.828 0.347 . . . . 0.0 110.787 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -107.54 69.52 0.75 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.558 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.414 ' HB3' ' HZ3' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -136.44 51.24 2.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.782 0.325 . . . . 0.0 110.582 179.846 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.776 HG22 ' CD2' ' A' ' 98' ' ' TRP . 71.5 p -46.5 131.92 10.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.708 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.536 ' CG ' ' ND2' ' A' ' 21' ' ' ASN . 0.5 OUTLIER -107.67 142.87 36.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.832 -179.828 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.657 ' C ' HD23 ' A' ' 33' ' ' LEU . 6.1 tt -139.31 116.18 10.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.527 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -105.65 147.04 28.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.412 179.853 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -134.69 140.57 46.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.068 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -144.15 129.38 18.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.298 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.408 ' CG1' ' SD ' ' A' ' 48' ' ' MET . 1.4 p -99.4 142.87 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.794 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -140.09 129.57 24.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.374 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -80.75 134.1 35.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.54 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mp -96.4 130.78 43.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.478 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -151.46 107.33 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.484 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.1 m120 52.9 46.74 26.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.538 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.64 14.21 66.95 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 m -103.22 106.81 17.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.713 0.292 . . . . 0.0 110.597 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.411 ' O ' ' OG ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -82.32 107.74 15.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.576 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.427 ' O ' HG12 ' A' ' 46' ' ' VAL . 25.5 t -102.78 98.42 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.579 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -70.26 128.42 36.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.549 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.518 ' O ' ' NE ' ' A' ' 52' ' ' ARG . 56.9 mtt -66.06 163.02 18.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.494 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.47 -49.96 4.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.507 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -108.7 77.08 1.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.532 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.408 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 53.0 t-80 -167.78 1.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.635 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.6 ' NH1' HG21 ' A' ' 164' ' ' THR . 10.5 mtt180 -100.71 135.33 42.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.377 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.57 -166.18 14.41 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -167.53 140.83 3.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.74 0.305 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.1 mt -122.04 178.37 4.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.382 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.543 ' C ' ' HB2' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -139.23 153.6 47.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.553 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.45 ' N ' ' HB2' ' A' ' 71' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.533 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.837 0.351 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.543 ' HB2' ' C ' ' A' ' 56' ' ' HIS . . . -50.19 -30.82 12.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.588 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -54.1 -64.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.653 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.4 mt -42.9 -41.08 3.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.684 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -63.06 -41.03 99.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.636 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.413 ' CE1' ' CG2' ' A' ' 79' ' ' VAL . 2.0 t80 -65.87 -45.54 81.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.584 HD22 ' OE1' ' A' ' 109' ' ' GLU . 2.6 tp -65.18 -20.14 66.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.588 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -69.39 -33.11 72.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.185 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.679 ' C ' HD12 ' A' ' 78' ' ' LEU . 3.7 pp -103.39 3.0 34.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.704 0.287 . . . . 0.0 111.03 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.432 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.5 t -55.93 -48.89 95.75 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 43.4 Cg_endo -73.49 -17.24 23.87 Favored 'Trans proline' 0 N--CA 1.489 1.26 0 C-N-CA 121.471 1.448 . . . . 0.0 111.817 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.57 -11.71 54.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.338 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.3 mt -85.59 6.22 28.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.526 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 46.38 41.02 8.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.695 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.7 mt -40.96 145.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.52 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -116.78 84.98 16.38 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.483 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.468 ' O ' ' N ' ' A' ' 88' ' ' GLN . 50.6 Cg_exo -50.76 -10.89 0.33 Allowed 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.335 2.024 . . . . 0.0 112.159 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.74 -23.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.456 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 86' ' ' PRO . 1.1 mp0 -139.57 178.87 6.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.342 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.1 mm -89.12 156.29 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.628 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -146.84 179.1 7.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.431 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -148.16 115.62 6.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.88 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.0 t -94.02 108.77 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.143 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.13 117.25 27.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.788 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -102.53 131.47 49.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.605 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.403 ' CE2' ' SG ' ' A' ' 161' ' ' CYS . 48.9 m-85 -124.64 102.95 7.86 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 178.436 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.85 141.81 23.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.72 -178.32 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.652 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 1.8 p -96.1 -23.05 16.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.676 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.776 ' CD2' HG22 ' A' ' 31' ' ' THR . 18.5 m95 -115.41 135.08 54.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.582 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.65 162.15 0.31 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.418 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -68.49 159.57 52.9 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.555 2.17 . . . . 0.0 112.097 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.6 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 10.4 p -100.83 -149.13 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.493 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.6 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -41.23 107.72 0.08 Allowed 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.202 0.525 . . . . 0.0 109.806 179.583 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.526 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 97.9 p -41.54 -24.56 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.624 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.452 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.2 OUTLIER -84.81 -26.26 27.6 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.573 -179.311 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -84.86 -61.9 1.73 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' CYS . . . . . 0.561 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.9 OUTLIER -75.66 -61.75 1.81 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.645 0.26 . . . . 0.0 111.655 -179.281 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -68.85 -35.6 77.13 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.253 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -64.47 -60.27 7.26 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.584 ' OE1' HD22 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -58.41 -29.11 65.83 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.313 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 106' ' ' CYS . 39.4 t -75.77 -36.43 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.116 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -62.84 -58.97 5.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.125 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.51 -50.93 51.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.274 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -50.44 -37.8 39.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.256 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.482 HD11 ' CB ' ' A' ' 122' ' ' LEU . 2.1 mt -73.66 -58.35 3.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.35 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -46.7 -16.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.409 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.464 ' N ' ' C ' ' A' ' 114' ' ' LEU . 1.7 tm-20 -107.91 -44.49 4.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.61 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.491 ' O ' ' N ' ' A' ' 119' ' ' HIS . 2.0 m-80 -98.89 35.43 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.77 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.443 ' C ' ' H ' ' A' ' 120' ' ' VAL . 0.0 OUTLIER -45.53 -15.66 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.831 -179.781 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.529 ' ND1' ' O ' ' A' ' 119' ' ' HIS . 4.7 p80 -76.23 17.1 0.38 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.958 0.409 . . . . 0.0 110.289 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.443 ' H ' ' C ' ' A' ' 118' ' ' THR . 42.7 t -139.37 140.33 37.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.374 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.57 ' NH1' ' NE2' ' A' ' 149' ' ' GLN . 3.1 mmp_? -91.52 120.28 32.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.442 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.487 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -99.14 112.33 24.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.567 -179.665 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.487 ' N ' HD13 ' A' ' 122' ' ' LEU . 35.8 mtp180 -117.08 118.82 33.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.141 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 11.3 mt -105.49 137.09 36.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.025 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -130.61 110.53 11.47 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.611 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -89.6 113.66 25.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.358 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.652 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -85.17 -45.39 12.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.784 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.515 ' NH2' HD11 ' A' ' 186' ' ' LEU . 0.0 OUTLIER -131.86 142.61 49.74 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.872 0.367 . . . . 0.0 110.725 179.897 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.8 mt -103.81 107.49 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.545 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.463 ' CD2' HD11 ' A' ' 26' ' ' ILE . 6.0 m-85 -148.76 117.53 6.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.586 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -146.22 -168.01 2.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.525 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -104.87 -23.56 12.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.691 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.468 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.2 OUTLIER -143.58 160.95 49.15 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.547 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.18 25.13 0.19 Allowed 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.606 2.204 . . . . 0.0 112.205 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.468 ' H ' ' C ' ' A' ' 133' ' ' ASP . 4.7 tt -61.44 -23.94 66.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.53 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.595 ' CD1' ' N ' ' A' ' 137' ' ' LYS . 0.6 OUTLIER -48.15 -27.92 2.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.585 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.595 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 28.3 tttt -61.68 -61.82 2.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.564 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -49.64 -41.75 43.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.527 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.19 -46.05 91.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.546 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.66 -53.07 26.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -69.02 -35.47 76.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.609 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -34.61 72.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.655 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 146' ' ' ALA . 7.6 mt -75.68 -51.09 13.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.578 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 40.6 ttt-85 -44.88 -38.6 4.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.531 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.75 -26.93 60.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.596 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -77.99 -4.37 46.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.607 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 69.06 8.58 58.61 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -75.52 150.5 38.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 110.55 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' GLN . . . . . 0.57 ' NE2' ' NH1' ' A' ' 121' ' ' ARG . 3.8 mt-30 -83.62 128.46 34.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.569 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.06 118.45 37.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.454 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.33 162.07 38.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.608 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 152' ' ' ILE . 1.1 tp -88.38 125.75 41.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.5 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.584 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 9.1 ttt -42.33 115.17 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.592 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 41.9 p -98.85 174.07 6.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.562 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -40.51 94.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.663 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -58.88 -58.67 7.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.344 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' GLU . . . . . 0.457 ' CA ' ' OE1' ' A' ' 157' ' ' GLU . 0.0 OUTLIER -51.9 -35.02 44.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.225 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.584 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 0.7 OUTLIER -62.83 -55.05 29.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.371 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -43.93 -47.82 8.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.623 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' HIS . . . . . 0.422 ' O ' ' OG1' ' A' ' 164' ' ' THR . 0.0 OUTLIER -69.11 -46.36 67.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.934 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.403 ' SG ' ' CE2' ' A' ' 95' ' ' PHE . 0.8 OUTLIER -60.29 -64.21 1.03 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.943 -179.545 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 162' ' ' TRP . . . . . 0.478 ' CD1' ' N ' ' A' ' 173' ' ' PHE . 1.2 t-105 -50.86 -32.85 21.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -75.92 -39.44 56.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.137 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.6 HG21 ' NH1' ' A' ' 52' ' ' ARG . 1.7 m -87.21 -16.1 36.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.173 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -107.48 17.08 23.17 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -178.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.617 ' C ' HD12 ' A' ' 12' ' ' LEU . 45.1 t -143.4 112.73 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.529 -0.469 . . . . 0.0 111.105 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 167' ' ' ASP . . . . . 0.479 ' HB3' ' H ' ' A' ' 12' ' ' LEU . 24.4 p-10 -72.36 52.66 0.27 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.95 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.52 ' CE1' ' O ' ' A' ' 171' ' ' CYS . 2.8 p-80 -93.99 -25.87 17.05 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.358 -0.537 . . . . 0.0 111.112 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 169' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 168' ' ' HIS . 59.5 mm-40 37.41 74.24 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.086 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 138.87 -17.48 3.22 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.97 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 171' ' ' CYS . . . . . 0.52 ' O ' ' CE1' ' A' ' 168' ' ' HIS . 5.2 t -113.35 88.47 12.95 Favored Pre-proline 0 CA--C 1.534 0.339 0 CA-C-N 116.854 0.327 . . . . 0.0 110.943 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -79.14 166.66 22.6 Favored 'Trans proline' 0 C--N 1.314 -1.245 0 C-N-CA 122.001 1.801 . . . . 0.0 112.043 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.478 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 29.4 t80 -51.63 134.11 30.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -118.7 84.9 26.08 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.474 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_exo -48.18 131.27 21.89 Favored 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 122.265 1.977 . . . . 0.0 112.206 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 12.6 p90 -104.06 163.8 12.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.475 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -65.51 102.1 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.548 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 141.93 -29.71 2.19 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 1.4 tp -53.52 -28.15 29.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.747 0.308 . . . . 0.0 110.541 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 180' ' ' ASP . . . . . 0.417 ' CG ' ' H ' ' A' ' 181' ' ' GLU . 7.3 p-10 -74.9 -62.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.67 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 181' ' ' GLU . . . . . 0.417 ' H ' ' CG ' ' A' ' 180' ' ' ASP . 32.6 mt-10 -52.73 -51.38 60.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.614 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -51.21 -57.47 8.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.584 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 60.7 p -54.86 -31.97 60.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.634 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -63.57 -38.15 90.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.603 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -67.83 -53.5 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.636 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 186' ' ' LEU . . . . . 0.515 HD11 ' NH2' ' A' ' 128' ' ' ARG . 37.0 mt -59.38 -54.29 48.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.633 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 87.8 p -51.05 -36.56 40.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.553 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -66.8 -39.54 93.54 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -57.66 -47.68 81.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.33 . . . . 0.0 110.576 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.83 -43.44 98.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.57 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -70.74 -16.32 62.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.595 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -81.43 -38.26 26.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.597 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 3.4 tt -90.75 -26.64 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.656 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 2.6 tp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.603 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.8 t60 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.869 0.366 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.86 HD22 ' N ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -104.79 174.07 6.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.284 179.686 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.5 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -69.41 169.13 12.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.617 179.381 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -73.32 123.19 89.23 Favored Pre-proline 0 CA--C 1.539 0.537 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.877 -179.289 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.438 ' O ' ' OG1' ' A' ' 19' ' ' THR . 80.9 Cg_exo -42.04 -17.64 0.07 OUTLIER 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 121.925 1.75 . . . . 0.0 112.138 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 14' ' ' ASP . 2.9 t-80 -77.55 -57.8 3.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.648 -179.376 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.6 pp -57.0 -21.26 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 120.741 -0.383 . . . . 0.0 110.38 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -77.14 -60.98 2.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.451 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -55.63 -24.12 31.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.607 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 m -85.39 -46.91 10.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.731 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.465 ' OD1' ' CE1' ' A' ' 32' ' ' TYR . 10.6 m120 -65.0 -9.94 25.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.744 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -130.37 27.07 5.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.574 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.06 4.01 6.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.548 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 61.54 150.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.546 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 53.04 97.94 0.01 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -148.04 169.85 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.874 0.368 . . . . 0.0 110.652 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.59 16.09 0.96 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.42 HH21 HD22 ' A' ' 21' ' ' ASN . 0.3 OUTLIER -99.53 154.84 17.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.821 0.343 . . . . 0.0 110.742 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -87.94 99.47 12.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.696 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.4 tttt -173.0 34.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.393 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.78 HG22 ' CD2' ' A' ' 98' ' ' TRP . 2.7 p -46.71 160.68 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.004 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.465 ' CE1' ' OD1' ' A' ' 21' ' ' ASN . 1.0 OUTLIER -134.59 145.04 48.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.285 179.662 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.672 ' C ' HD23 ' A' ' 33' ' ' LEU . 6.6 tt -139.19 123.1 17.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.693 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.594 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -111.88 116.51 30.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.398 179.64 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.508 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 4.4 p90 -109.68 143.36 39.56 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.733 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -132.91 160.08 38.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.297 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.607 HG21 ' CE1' ' A' ' 51' ' ' HIS . 27.3 t -129.7 130.77 66.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.571 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -136.92 128.31 28.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.601 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -81.37 125.76 30.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.429 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.63 119.47 26.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.607 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.82 114.67 6.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.597 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.454 ' C ' ' H ' ' A' ' 44' ' ' THR . 1.8 m-20 54.82 39.38 31.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.604 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.52 -20.26 2.24 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.454 ' H ' ' C ' ' A' ' 42' ' ' ASN . 19.1 m -77.12 111.18 12.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.552 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.8 p -90.35 110.44 21.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.563 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 46' ' ' VAL . 25.7 m -99.99 108.82 23.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.572 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.65 127.38 32.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.569 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 50.9 mtm -91.21 147.58 22.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.509 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -87.01 -50.25 6.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.643 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -81.6 56.66 3.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.417 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.607 ' CE1' HG21 ' A' ' 37' ' ' VAL . 20.9 t-80 -169.37 22.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.643 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.518 ' NH1' ' O ' ' A' ' 164' ' ' THR . 0.4 OUTLIER -133.66 170.53 15.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.463 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 176.81 -171.02 43.94 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -144.28 138.35 27.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.694 0.283 . . . . 0.0 110.674 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -119.45 134.47 55.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.346 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -103.32 157.98 16.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.577 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.557 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.82 0.343 . . . . 0.0 110.548 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.69 -39.9 95.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.596 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -45.17 -61.5 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.525 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.521 HD11 ' OE1' ' A' ' 109' ' ' GLU . 6.6 mp -52.12 -52.56 50.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.623 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.17 -58.03 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.441 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.508 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 40.7 t80 -57.6 -49.39 76.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.469 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.486 HD11 HG22 ' A' ' 110' ' ' VAL . 1.4 mt -57.08 -19.96 22.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.565 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -71.86 -44.39 63.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.241 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 pp -95.92 5.34 51.46 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.074 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.436 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.4 t -56.59 -48.09 97.79 Favored Pre-proline 0 CA--C 1.536 0.41 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.084 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 44.1 Cg_endo -74.13 -17.05 22.24 Favored 'Trans proline' 0 N--CA 1.488 1.198 0 C-N-CA 121.528 1.485 . . . . 0.0 111.856 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.9 t -69.14 -9.93 55.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.357 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.5 mt -79.63 12.1 2.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.54 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 41.63 43.34 2.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.563 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.6 mt -43.15 155.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.664 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.479 ' C ' ' H ' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -116.89 85.08 16.89 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.462 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.443 ' HA ' ' CD2' ' A' ' 119' ' ' HIS . 51.4 Cg_exo -49.79 -7.16 0.08 OUTLIER 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 122.375 2.05 . . . . 0.0 112.264 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.479 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -47.44 -56.38 7.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.47 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.479 ' N ' ' CD ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -112.99 -179.3 3.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.387 179.823 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.798 ' H ' HD12 ' A' ' 89' ' ' ILE . 0.2 OUTLIER -85.39 162.44 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.534 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -143.76 176.38 9.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.562 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -146.58 108.5 4.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.736 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.538 HG23 HG21 ' A' ' 120' ' ' VAL . 42.1 t -94.92 112.13 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.285 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.1 m -97.05 120.34 37.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.63 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -101.39 132.19 47.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.933 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.495 ' CD2' ' SG ' ' A' ' 161' ' ' CYS . 12.5 m-85 -124.04 102.86 7.97 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.222 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.43 145.75 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.076 -178.055 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.668 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 0.9 OUTLIER -97.0 -23.22 16.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.764 178.801 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.78 ' CD2' HG22 ' A' ' 31' ' ' THR . 21.6 m95 -114.77 135.78 53.8 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.528 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.403 ' OG ' HG23 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -57.66 162.73 4.54 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.599 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -70.7 171.12 16.12 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.602 2.201 . . . . 0.0 112.109 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 31.1 p -111.14 -137.2 0.37 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.367 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.539 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -49.49 102.49 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.495 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.525 ' O ' ' N ' ' A' ' 108' ' ' GLY . 79.3 p -41.08 -25.11 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.63 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.454 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -85.46 -28.29 25.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.919 0.39 . . . . 0.0 111.347 -179.503 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -81.33 -62.0 2.02 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' CYS . . . . . 0.73 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.7 OUTLIER -77.56 -69.24 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.621 0.248 . . . . 0.0 111.369 -179.568 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.722 ' HB1' HD13 ' A' ' 143' ' ' LEU . . . -58.43 -40.2 81.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.98 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -58.78 -57.05 21.93 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.521 ' OE1' HD11 ' A' ' 73' ' ' LEU . 41.1 mt-10 -53.96 -32.8 55.04 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.013 0.435 . . . . 0.0 110.099 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 106' ' ' CYS . 58.2 t -73.78 -40.24 53.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.348 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 55.9 ttt180 -56.1 -58.98 5.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.324 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.56 -59.75 4.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.426 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -46.67 -28.66 1.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.618 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.7 tp -84.24 -43.3 15.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.728 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -49.62 -28.69 6.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.489 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -109.68 5.33 22.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.998 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.631 ' O ' HG12 ' A' ' 120' ' ' VAL . 2.6 t-20 -144.02 34.24 1.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.348 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.4 t -62.27 3.01 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.502 ' H ' ' C ' ' A' ' 117' ' ' ASN . 1.8 p-80 -76.16 9.98 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.376 . . . . 0.0 110.363 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 117' ' ' ASN . 7.9 p -136.98 149.66 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.387 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.45 123.05 34.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.467 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.506 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -104.66 112.41 25.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.614 -179.688 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.506 ' N ' HD13 ' A' ' 122' ' ' LEU . 1.8 mpt_? -116.32 120.05 37.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.857 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 19.6 mt -105.1 130.81 55.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.101 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -125.66 115.54 20.28 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.642 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -95.02 111.79 23.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.226 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.668 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -83.1 -44.71 14.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -133.2 138.41 46.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.933 0.397 . . . . 0.0 110.603 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.403 HG23 ' OG ' ' A' ' 99' ' ' SER . 0.2 OUTLIER -98.79 126.04 52.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.737 -179.73 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -174.42 120.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.308 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -175.35 172.74 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.503 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -103.31 9.9 37.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.378 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.475 ' C ' ' H ' ' A' ' 135' ' ' LEU . 1.7 m-20 -128.4 76.71 78.03 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.516 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.482 ' C ' ' H ' ' A' ' 136' ' ' TYR . 50.7 Cg_exo -49.75 -6.84 0.08 OUTLIER 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.72 2.28 . . . . 0.0 112.295 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.475 ' H ' ' C ' ' A' ' 133' ' ' ASP . 4.9 mt -55.73 -6.05 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.501 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.482 ' H ' ' C ' ' A' ' 134' ' ' PRO . 0.6 OUTLIER -42.4 -37.14 1.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.651 -179.89 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.479 ' N ' ' CG ' ' A' ' 136' ' ' TYR . 1.2 pttm -59.87 -60.36 3.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.464 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -51.88 -26.68 10.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.41 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.46 ' HB2' ' HB3' ' A' ' 103' ' ' SER . . . -75.39 -28.87 59.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.512 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 140' ' ' LEU . 0.9 OUTLIER -70.6 -41.44 72.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.514 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -82.28 -36.14 27.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.554 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 3.4 ttp -68.47 -49.66 58.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.689 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.722 HD13 ' HB1' ' A' ' 107' ' ' ALA . 23.1 tp -66.1 -50.93 62.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.677 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.482 ' C ' ' H ' ' A' ' 146' ' ' ALA . 4.8 tmm_? -49.08 -41.04 34.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.512 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -61.7 -0.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.594 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' A' ' 144' ' ' ARG . . . -102.16 -23.85 14.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.658 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 131.33 -47.61 1.01 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -44.31 147.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.839 0.352 . . . . 0.0 110.645 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -102.0 143.4 31.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.501 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.49 122.06 49.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.494 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 5.3 t -150.91 162.09 41.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.666 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.3 tp -78.38 140.28 17.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.583 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.583 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 10.9 ttt -56.37 130.7 45.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.637 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -100.08 153.77 18.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.629 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -52.29 -39.59 60.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.58 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.47 -44.38 93.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.543 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -65.95 -38.86 89.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.484 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.583 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 1.3 m-85 -51.43 -49.61 61.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.535 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.85 -52.98 62.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.606 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 160' ' ' HIS . . . . . 0.624 ' ND1' ' N ' ' A' ' 161' ' ' CYS . 0.1 OUTLIER -48.1 -51.53 24.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.336 179.836 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.624 ' N ' ' ND1' ' A' ' 160' ' ' HIS . 0.5 OUTLIER -64.11 -49.22 73.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.945 -179.495 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 162' ' ' TRP . . . . . 0.459 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 21.9 t-105 -43.35 -68.97 0.15 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.327 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 163' ' ' ASP . . . . . 0.459 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.1 OUTLIER -60.16 -26.51 66.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.762 -179.008 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.518 ' O ' ' NH1' ' A' ' 52' ' ' ARG . 30.7 m -86.87 -18.45 30.87 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.818 -179.031 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.547 ' N ' ' O ' ' A' ' 161' ' ' CYS . 25.9 m-85 -121.52 19.19 11.26 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.623 -179.29 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.527 ' C ' ' H ' ' A' ' 168' ' ' HIS . 60.9 t -144.69 153.97 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.517 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 167' ' ' ASP . . . . . 0.629 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -75.98 27.75 0.11 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.958 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.714 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -41.01 -54.56 2.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.909 179.539 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 169' ' ' GLN . . . . . 0.621 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 31.6 mt-30 41.16 17.06 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.386 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 170' ' ' GLY . . . . . 0.714 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 141.35 3.69 1.16 Allowed Glycine 0 CA--C 1.53 0.975 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.909 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 171' ' ' CYS . . . . . 0.615 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 23.7 m -117.24 85.27 18.89 Favored Pre-proline 0 CA--C 1.53 0.177 0 CA-C-N 116.865 0.333 . . . . 0.0 110.121 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -82.5 149.53 14.71 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 122.391 2.061 . . . . 0.0 112.369 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.513 ' O ' ' CD2' ' A' ' 173' ' ' PHE . 0.0 OUTLIER -105.76 123.03 47.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.313 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 174' ' ' GLN . . . . . 0.544 ' H ' ' CD ' ' A' ' 174' ' ' GLN . 0.0 OUTLIER -91.83 153.97 43.69 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.443 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -70.32 134.26 26.38 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.263 1.976 . . . . 0.0 111.96 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 9.7 p90 -80.55 -172.19 3.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.605 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.82 95.4 10.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.53 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 160.48 -33.6 0.41 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.76 -46.12 50.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.801 0.334 . . . . 0.0 110.377 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.3 -48.51 71.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.502 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -65.72 -57.82 7.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.476 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -49.95 -37.57 32.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.476 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.11 -55.43 35.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.491 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -58.02 -30.26 65.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.578 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -68.37 -65.04 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.555 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 42.9 mt -62.51 -60.34 3.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.492 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 15.6 p -45.98 -37.43 6.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.482 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -66.73 -39.83 93.72 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 189' ' ' ARG . . . . . 0.46 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 31.8 mtt85 -69.19 -55.87 9.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.782 0.325 . . . . 0.0 110.491 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -43.34 -50.34 6.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.3 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -59.3 -40.6 86.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.352 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 192' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -51.79 -52.69 47.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.51 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 193' ' ' ILE . . . . . 0.522 ' N ' HD12 ' A' ' 193' ' ' ILE . 1.7 mp -59.66 -33.9 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.349 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.455 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.488 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 4.2 p80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.846 0.355 . . . . 0.0 110.607 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.701 ' N ' HD12 ' A' ' 12' ' ' LEU . 6.8 mp -94.9 174.37 7.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.968 0.413 . . . . 0.0 110.492 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.489 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -61.86 150.26 37.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.967 179.678 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -67.11 141.39 96.36 Favored Pre-proline 0 CA--C 1.536 0.418 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.408 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.442 ' O ' ' OG1' ' A' ' 19' ' ' THR . 86.1 Cg_exo -40.01 -48.71 3.78 Favored 'Trans proline' 0 N--CA 1.488 1.166 0 C-N-CA 122.119 1.879 . . . . 0.0 112.248 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.431 ' CD2' ' C ' ' A' ' 16' ' ' HIS . 11.7 t60 -65.83 -45.89 80.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.622 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.7 mm -48.7 -38.7 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.977 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 28.2 t80 -76.33 -57.2 4.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.786 0.327 . . . . 0.0 110.913 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -54.91 -24.56 24.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.831 -179.639 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.6 t -86.9 -35.91 18.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.676 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.614 ' ND2' ' CE1' ' A' ' 32' ' ' TYR . 14.4 t-20 -81.19 -1.36 44.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.735 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -133.31 3.17 3.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.339 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.52 122.52 17.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.441 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -39.39 121.12 1.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.727 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.52 77.66 1.27 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -70.11 -176.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.744 0.307 . . . . 0.0 110.584 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -121.92 -77.71 0.44 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.432 ' NE ' ' H ' ' A' ' 29' ' ' HIS . 0.9 OUTLIER -171.56 147.01 2.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.465 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.432 ' H ' ' NE ' ' A' ' 28' ' ' ARG . 21.8 m170 44.31 64.39 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -135.43 13.64 3.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.816 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.9 p -47.27 109.5 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.426 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.614 ' CE1' ' ND2' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -106.14 140.79 38.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.652 -179.857 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.714 HD13 ' C ' ' A' ' 33' ' ' LEU . 2.6 tm? -132.94 123.34 25.76 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.016 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.98 102.97 8.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.649 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.493 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 15.4 p90 -93.55 142.36 27.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.151 -179.167 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -126.49 160.59 30.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.111 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.681 HG21 ' CE1' ' A' ' 51' ' ' HIS . 44.8 t -131.44 123.78 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 110.639 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -135.68 120.54 18.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.619 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.8 ttp85 -95.53 137.53 34.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.39 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.9 mt -92.61 157.32 16.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.557 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -151.62 96.3 2.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.449 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.429 ' C ' ' H ' ' A' ' 44' ' ' THR . 40.7 t-20 59.43 53.87 4.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.472 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.62 -27.1 1.9 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.429 ' H ' ' C ' ' A' ' 42' ' ' ASN . 1.5 m -71.85 144.05 49.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.763 0.316 . . . . 0.0 110.508 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.7 p -104.26 137.0 42.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.569 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 37.1 t -131.1 105.42 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.499 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -82.54 136.78 34.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.663 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.2 mmt -89.31 145.81 25.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.523 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -96.82 -50.15 4.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.687 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.415 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -100.78 63.07 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.549 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.681 ' CE1' HG21 ' A' ' 37' ' ' VAL . 45.0 t-80 -161.0 13.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.663 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -109.58 170.63 7.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.596 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -173.09 173.69 45.71 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -152.15 146.72 25.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.85 0.357 . . . . 0.0 110.746 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mp -137.4 178.47 7.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.559 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.22 175.66 9.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.474 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.541 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.621 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.822 0.344 . . . . 0.0 110.658 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.59 -36.86 85.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.503 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -63.89 -50.9 66.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.508 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.555 HD13 ' ND1' ' A' ' 70' ' ' HIS . 6.6 mp -44.92 -47.54 11.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.383 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -58.26 -47.17 84.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.498 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.493 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 25.5 t80 -59.03 -47.77 84.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.407 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 tp -65.22 -19.59 66.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.191 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -79.07 -33.36 44.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.266 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 pp -103.81 8.11 37.08 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.779 0.323 . . . . 0.0 110.734 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.581 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -63.17 -41.66 70.89 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.61 179.792 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 28.3 Cg_exo -59.16 -22.07 62.64 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.263 1.975 . . . . 0.0 111.873 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.5 m -56.89 -8.84 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.526 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.664 HD22 ' NE2' ' A' ' 51' ' ' HIS . 49.2 mt -90.8 -35.25 14.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.59 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 71.26 39.58 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.643 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.9 mt -54.97 111.6 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.532 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.2 160.57 54.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.623 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.28 3.88 2.76 Favored 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.576 2.184 . . . . 0.0 112.112 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.0 -84.99 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.828 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.591 ' H ' ' CD ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -109.11 -175.09 2.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.584 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 90' ' ' TYR . 3.2 mm -85.07 156.14 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.536 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.46 ' N ' HG22 ' A' ' 89' ' ' ILE . 2.4 m-85 -131.33 167.36 19.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.489 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.418 ' NH1' ' NH1' ' A' ' 123' ' ' ARG . 19.7 ttp180 -153.85 104.44 2.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.777 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.8 t -91.09 131.27 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.451 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.6 m -107.73 120.47 42.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.301 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -100.38 131.47 46.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.967 0.413 . . . . 0.0 110.741 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.445 ' CD2' ' SG ' ' A' ' 161' ' ' CYS . 22.4 m-85 -120.29 102.87 8.78 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.221 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -111.1 142.44 23.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.003 0.43 . . . . 0.0 111.664 -178.315 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.647 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 2.5 p -96.72 -27.9 14.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.057 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 14.8 m95 -112.16 136.44 51.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.578 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.49 162.41 0.26 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.626 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -69.74 172.95 11.7 Favored 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.544 2.163 . . . . 0.0 112.073 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -117.43 -151.26 0.48 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.288 -179.84 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.536 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -37.75 98.55 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.326 0.584 . . . . 0.0 110.066 179.685 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.882 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 74.4 m -39.06 -24.02 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.822 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.522 ' N ' ' O ' ' A' ' 102' ' ' PHE . 1.6 t90 -84.41 -31.75 24.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.55 -179.224 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -72.22 -62.31 3.35 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -69.21 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.648 0.261 . . . . 0.0 111.198 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.882 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -50.55 -50.16 54.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.913 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.35 -58.84 11.96 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 105' ' ' GLY . 14.3 mm-40 -46.59 -45.35 18.86 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.279 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.0 t -65.18 -45.11 94.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.391 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -47.04 -58.54 3.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.209 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.54 -45.6 63.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.242 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -51.56 -49.19 62.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.491 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.54 ' O ' HG23 ' A' ' 118' ' ' THR . 7.0 mp -69.21 -58.42 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.505 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -46.8 -15.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.416 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 114' ' ' LEU . 4.3 tt0 -109.97 -18.91 13.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.657 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.578 ' O ' HG12 ' A' ' 120' ' ' VAL . 15.3 t-20 -152.54 57.74 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.387 . . . . 0.0 110.694 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 114' ' ' LEU . 66.5 p -62.14 5.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.523 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.3 OUTLIER -75.85 1.36 15.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 0.0 110.337 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 117' ' ' ASN . 6.6 p -128.47 130.52 69.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.482 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 28.1 mtt-85 -91.47 144.55 25.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.294 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.76 128.55 49.73 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.002 -179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.418 ' NH1' ' NH1' ' A' ' 91' ' ' ARG . 2.4 mtp180 -112.27 124.08 51.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.825 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 23.6 mm -104.92 127.12 59.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.748 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.509 ' CE1' ' OE2' ' A' ' 157' ' ' GLU . 63.4 m-85 -126.09 111.18 14.37 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.04 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -94.54 114.77 26.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.988 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.647 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -85.75 -44.66 12.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.071 -179.509 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.651 ' HE ' HD21 ' A' ' 186' ' ' LEU . 0.0 OUTLIER -133.82 140.31 46.81 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.878 0.37 . . . . 0.0 110.784 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.422 ' H ' ' CZ ' ' A' ' 128' ' ' ARG . 0.2 OUTLIER -99.85 129.24 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.581 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.417 ' O ' ' OD1' ' A' ' 131' ' ' ASP . 0.2 OUTLIER -178.82 122.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.367 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 130' ' ' TYR . 0.1 OUTLIER 179.68 151.71 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.681 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -86.59 10.09 16.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.453 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.488 ' C ' ' H ' ' A' ' 135' ' ' LEU . 11.9 m-20 -122.33 80.61 45.39 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.571 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.478 ' C ' ' H ' ' A' ' 136' ' ' TYR . 50.2 Cg_exo -50.04 -5.83 0.07 OUTLIER 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 122.565 2.177 . . . . 0.0 112.309 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.488 ' H ' ' C ' ' A' ' 133' ' ' ASP . 5.5 mt -52.66 -8.98 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.456 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.478 ' H ' ' C ' ' A' ' 134' ' ' PRO . 0.9 OUTLIER -42.87 -26.55 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.662 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -68.08 -59.21 3.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.585 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.99 -30.38 14.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.554 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.61 ' HB2' ' OG ' ' A' ' 103' ' ' SER . . . -69.13 -42.58 75.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.591 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.32 -43.71 83.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.54 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -77.24 -59.23 2.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.552 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -45.08 -39.89 6.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.437 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 44.2 tp -68.96 -45.96 69.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -54.45 -28.49 44.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.519 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -82.22 -13.6 56.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.516 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -87.73 -23.1 24.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.585 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 91.71 68.47 1.15 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -143.49 172.79 12.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.879 0.371 . . . . 0.0 110.573 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -100.53 130.67 46.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.584 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.05 107.68 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.501 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.09 162.0 41.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.719 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.643 HD11 HD22 ' A' ' 190' ' ' LEU . 10.3 mm -85.02 136.45 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.568 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.586 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 4.9 ttt -45.04 121.26 2.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.51 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 82.4 p -99.04 157.38 16.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.636 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -47.97 -39.41 19.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.731 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.39 -60.94 2.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.588 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 157' ' ' GLU . . . . . 0.509 ' OE2' ' CE1' ' A' ' 125' ' ' PHE . 73.8 mt-10 -53.79 -32.32 52.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.489 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.586 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 0.4 OUTLIER -59.41 -46.9 87.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.421 179.864 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -59.88 -56.22 24.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.661 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' HIS . . . . . 0.517 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -56.23 -54.21 48.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.54 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.517 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 11.5 t -57.12 -38.53 73.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.705 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 162' ' ' TRP . . . . . 0.578 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 4.0 t-105 -61.88 -64.7 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 163' ' ' ASP . . . . . 0.578 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -62.46 -17.5 59.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.337 -179.45 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 87.7 m -86.56 -36.49 18.88 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.23 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.489 ' O ' ' SD ' ' A' ' 13' ' ' MET . 28.6 m-85 -100.72 18.7 18.69 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.354 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.493 ' C ' ' H ' ' A' ' 168' ' ' HIS . 60.2 t -146.15 134.87 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.643 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 167' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 169' ' ' GLN . 30.2 t70 -75.16 39.31 0.14 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.605 178.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.596 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -46.87 -12.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.586 -179.776 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 169' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' A' ' 167' ' ' ASP . 9.2 mm-40 53.83 6.19 0.08 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.987 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 170' ' ' GLY . . . . . 0.596 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 122.47 36.1 0.71 Allowed Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 171' ' ' CYS . . . . . 0.585 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 1.2 m -124.78 80.76 62.14 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-O 120.701 0.286 . . . . 0.0 110.292 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -51.91 155.05 8.92 Favored 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.595 2.197 . . . . 0.0 112.219 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.521 ' CE1' ' O ' ' A' ' 174' ' ' GLN . 0.0 OUTLIER -98.59 114.5 26.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.412 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 174' ' ' GLN . . . . . 0.521 ' O ' ' CE1' ' A' ' 173' ' ' PHE . 0.0 OUTLIER -79.53 156.68 75.56 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.553 -179.732 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.66 156.21 57.77 Favored 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 122.393 2.062 . . . . 0.0 112.154 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 3.0 p90 -103.53 -168.29 1.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.383 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -89.22 86.63 6.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.436 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 144.67 -25.39 1.97 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 5.2 tt -41.07 -38.77 1.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.727 0.299 . . . . 0.0 110.604 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -47.89 59.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.611 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -60.16 -50.13 74.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.642 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -63.32 -46.86 84.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.56 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 71.0 m -58.55 -50.34 74.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.596 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.26 -32.04 72.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.705 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -73.88 -65.16 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.63 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 186' ' ' LEU . . . . . 0.651 HD21 ' HE ' ' A' ' 128' ' ' ARG . 9.3 mp -50.52 -54.68 20.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.505 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 13.3 m -54.41 -42.4 70.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.603 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -66.02 -32.77 83.52 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -58.89 -61.68 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.724 0.297 . . . . 0.0 110.596 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.643 HD22 HD11 ' A' ' 152' ' ' ILE . 2.1 tp -51.24 -44.76 61.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.424 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -52.42 -35.62 52.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.41 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -66.08 -55.14 18.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.576 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 193' ' ' ILE . . . . . 0.502 ' N ' HD12 ' A' ' 193' ' ' ILE . 1.7 mp -48.56 -53.47 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.531 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.528 -179.948 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.0 t60 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.837 0.351 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.838 HD22 ' N ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -100.74 174.04 6.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.248 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.6 ptp -76.26 166.86 22.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.241 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.13 142.12 92.54 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.676 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -41.66 -49.09 5.47 Favored 'Trans proline' 0 N--CA 1.491 1.336 0 C-N-CA 122.082 1.855 . . . . 0.0 112.346 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -64.76 -48.06 75.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.057 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.4 mm -48.73 -30.35 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.652 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -80.97 -60.86 2.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.615 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.6 -24.99 1.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.567 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.8 p -79.26 -54.65 5.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.504 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.599 HD22 ' NZ ' ' A' ' 30' ' ' LYS . 20.2 m-80 -60.84 -7.63 2.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.548 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -133.19 35.16 3.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 23' ' ' ASN . 1.7 t-20 -95.58 104.93 16.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.578 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.668 ' N ' HH21 ' A' ' 128' ' ' ARG . 0.0 OUTLIER -41.21 155.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.556 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.22 18.29 67.27 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.819 -0.913 . . . . 0.0 110.819 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.402 HD13 ' HE1' ' A' ' 98' ' ' TRP . 19.5 tt -60.79 158.39 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.619 0.247 . . . . 0.0 110.46 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.88 -10.36 0.1 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -108.1 143.69 36.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.779 0.323 . . . . 0.0 110.438 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.596 ' N ' ' ND1' ' A' ' 29' ' ' HIS . 0.1 OUTLIER -61.91 76.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.819 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.599 ' NZ ' HD22 ' A' ' 21' ' ' ASN . 0.0 OUTLIER -117.03 25.11 10.73 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.961 179.727 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.477 HG22 ' CD2' ' A' ' 98' ' ' TRP . 0.1 OUTLIER -46.92 142.04 3.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.395 -179.465 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.44 ' CD1' ' OD1' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -119.74 143.69 47.66 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.093 179.71 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.654 HD13 ' C ' ' A' ' 33' ' ' LEU . 2.2 tm? -133.37 114.0 13.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.107 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.89 136.83 47.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.673 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.404 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 40.4 p90 -128.91 136.65 50.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.024 0.44 . . . . 0.0 111.395 -178.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -139.96 129.06 23.66 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.15 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.8 t -105.36 137.85 33.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.875 0.369 . . . . 0.0 110.73 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.484 ' OE2' ' NE ' ' A' ' 91' ' ' ARG . 7.6 pt-20 -139.67 134.52 32.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.405 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.3 ttp85 -79.47 138.18 37.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.547 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.6 mt -103.49 101.49 11.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.667 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -100.5 99.33 9.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.455 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 54.83 32.28 17.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.615 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.51 -25.96 26.23 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.8 m -72.78 110.89 7.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.54 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 63.2 p -84.25 128.4 34.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.512 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.7 t -122.92 99.36 6.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.454 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -63.82 132.46 50.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.62 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 45.3 mtt -74.75 155.88 37.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.533 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.92 -50.2 7.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.597 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -103.29 73.09 1.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.517 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.52 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 38.0 t-80 -163.93 9.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.666 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.543 ' C ' ' HE ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -100.92 133.64 45.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.397 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -154.53 -179.34 29.71 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -166.04 139.21 4.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.922 0.392 . . . . 0.0 111.154 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mp -138.33 178.47 7.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.382 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -124.08 167.87 13.64 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.347 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 . . . . . 0 C--N 1.33 -0.24 0 CA-C-O 120.849 0.357 . . . . 0.0 110.656 -179.867 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.426 ' CD2' ' OE2' ' A' ' 72' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.932 0.396 . . . . 0.0 110.717 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.46 -27.44 56.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.536 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.494 ' OE1' ' SG ' ' A' ' 106' ' ' CYS . 21.5 mt-10 -54.34 -38.32 65.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.569 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.6 mp -60.72 -47.1 87.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.633 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -60.49 -37.57 81.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.595 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 2.8 t80 -62.07 -49.22 76.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.569 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.1 tp -65.94 -20.15 66.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.627 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -76.73 -29.48 56.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.659 ' C ' HD12 ' A' ' 78' ' ' LEU . 4.0 pp -104.44 7.13 35.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.834 0.35 . . . . 0.0 110.833 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.588 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -64.25 -41.11 58.38 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.985 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 22.7 Cg_exo -61.0 -17.24 50.55 Favored 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 122.27 1.98 . . . . 0.0 112.065 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.7 m -71.04 -9.02 57.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.2 mt -98.3 -10.77 23.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.705 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 42.76 52.37 5.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.546 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 mt -40.43 156.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.71 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.492 ' C ' ' H ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -116.22 85.41 15.55 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.413 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -50.12 -5.66 0.07 OUTLIER 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.357 2.038 . . . . 0.0 112.45 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -40.95 -31.99 0.21 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.91 0.386 . . . . 0.0 110.518 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -138.29 -173.88 3.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.279 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.474 ' C ' ' CD1' ' A' ' 90' ' ' TYR . 0.5 OUTLIER -90.75 156.61 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.028 0.442 . . . . 0.0 110.641 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 89' ' ' ILE . 65.1 m-85 -144.15 179.05 7.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.845 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.535 ' CZ ' ' HE ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -148.63 116.04 6.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.443 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.3 t -93.85 122.52 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.322 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.5 m -104.11 118.73 37.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.605 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -102.97 131.13 50.15 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.648 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.416 ' CD2' ' SG ' ' A' ' 161' ' ' CYS . 36.3 m-85 -123.22 103.21 8.39 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -111.93 145.6 17.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.475 -178.568 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.633 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 2.1 p -91.88 -24.51 19.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.001 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.477 ' CD2' HG22 ' A' ' 31' ' ' THR . 13.9 m95 -110.54 171.12 7.65 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.102 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -98.08 161.08 26.7 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.799 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' A' ' 99' ' ' SER . 53.1 Cg_exo -42.55 173.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 122.648 2.232 . . . . 0.0 112.515 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.9 p -125.08 -47.81 1.76 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.143 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.3 OUTLIER -143.31 117.31 9.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.578 179.597 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.866 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 3.8 m -42.85 -36.64 1.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.05 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -84.65 -17.69 37.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.555 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.96 -63.82 1.51 Allowed Glycine 0 CA--C 1.527 0.804 0 C-N-CA 120.514 -0.85 . . . . 0.0 111.697 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' CYS . . . . . 0.494 ' SG ' ' OE1' ' A' ' 72' ' ' GLU . 1.3 m -79.01 -48.07 15.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.652 0.263 . . . . 0.0 111.572 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.866 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -74.09 -27.74 61.04 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.853 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -69.27 -61.0 4.77 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -36.78 68.79 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.117 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 4.3 t -68.88 -61.41 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.363 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 114' ' ' LEU . 67.3 ttt180 -42.3 -60.74 1.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.128 0.49 . . . . 0.0 110.098 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -42.81 -59.54 1.92 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.428 ' CE1' ' OD1' ' A' ' 117' ' ' ASN . 40.8 t80 -51.55 -23.43 4.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.603 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.455 HD11 ' HB2' ' A' ' 122' ' ' LEU . 0.9 OUTLIER -84.48 -55.71 4.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.078 -179.613 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 115' ' ' GLN . 3.3 mm100 -46.52 -28.91 1.55 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.945 0.402 . . . . 0.0 110.081 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -90.92 -42.04 10.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.237 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 119' ' ' HIS . 17.8 m120 -103.77 37.5 2.03 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.747 0.308 . . . . 0.0 111.185 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.429 ' C ' ' H ' ' A' ' 120' ' ' VAL . 59.9 p -45.66 -15.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.835 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.52 ' ND1' ' O ' ' A' ' 119' ' ' HIS . 5.6 p80 -76.19 16.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.955 0.407 . . . . 0.0 110.544 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.447 ' CG2' ' CE1' ' A' ' 119' ' ' HIS . 60.7 t -137.27 144.88 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.479 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.28 148.66 22.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.177 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.523 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.3 OUTLIER -130.91 113.39 13.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.048 0.451 . . . . 0.0 110.796 -179.264 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.535 ' HE ' ' CZ ' ' A' ' 91' ' ' ARG . 32.2 mtt-85 -115.23 125.01 52.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.125 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.1 mm -106.0 129.61 58.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -128.18 115.41 18.33 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.659 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -102.85 111.39 23.7 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.429 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.633 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -77.73 -43.08 32.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.816 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.668 HH21 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -131.63 160.7 34.62 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.515 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.526 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 0.9 OUTLIER -121.76 141.12 43.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.62 -179.751 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.526 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 0.8 OUTLIER 177.77 120.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.431 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.48 ' C ' ' H ' ' A' ' 133' ' ' ASP . 2.4 m-20 -177.81 123.58 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.432 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.71 9.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.328 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 135' ' ' LEU . 1.1 m-20 -118.51 82.37 19.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.29 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -46.83 -7.99 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 122.461 2.107 . . . . 0.0 112.633 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 133' ' ' ASP . 0.7 OUTLIER -51.64 -21.06 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.699 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.671 ' OH ' HD11 ' A' ' 193' ' ' ILE . 0.5 OUTLIER -42.52 -31.92 0.49 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.643 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -53.51 -62.05 1.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.439 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -54.84 -33.33 61.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.433 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 136' ' ' TYR . . . -56.38 -46.84 79.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.437 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -60.56 -50.74 72.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.281 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -58.76 -39.4 80.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.408 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -56.97 -39.77 75.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.249 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.721 HD12 ' HB3' ' A' ' 148' ' ' ALA . 0.8 OUTLIER -60.21 -55.54 32.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.211 179.734 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -44.93 -41.71 7.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.566 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.62 -34.36 72.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.666 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.33 -23.37 43.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 79.98 71.04 1.29 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.721 ' HB3' HD12 ' A' ' 143' ' ' LEU . . . -136.28 -172.54 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.679 0.276 . . . . 0.0 110.501 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -102.66 124.43 48.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.607 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.19 107.72 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.495 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 71.0 p -152.0 162.35 41.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.693 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 187' ' ' SER . 19.5 mt -85.92 139.25 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.893 0.378 . . . . 0.0 110.352 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 5.8 tpp -41.42 126.96 2.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.626 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.99 159.31 15.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.506 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -48.09 -41.39 26.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.688 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -62.5 -48.07 81.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.582 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -61.99 -42.5 99.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.596 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -49.81 -56.27 11.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.675 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.15 -58.75 6.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.017 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 160' ' ' HIS . . . . . 0.614 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -48.74 -57.82 5.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.855 -179.774 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.614 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 1.5 m -54.76 -52.76 61.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 162' ' ' TRP . . . . . 0.595 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 6.4 t-105 -43.83 -68.76 0.17 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 163' ' ' ASP . . . . . 0.595 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -57.97 -41.24 82.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.437 -179.316 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.401 ' O ' HG22 ' A' ' 164' ' ' THR . 77.9 m -68.23 -18.1 64.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.493 -179.21 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 161' ' ' CYS . 50.0 m-85 -121.56 19.31 11.22 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.557 ' C ' ' H ' ' A' ' 168' ' ' HIS . 80.6 t -144.76 155.07 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.182 0.515 . . . . 0.0 111.645 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 167' ' ' ASP . . . . . 0.497 ' N ' HG12 ' A' ' 166' ' ' VAL . 2.2 p-10 -74.87 30.14 0.09 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.642 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.738 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.2 OUTLIER -35.26 -53.6 0.63 Allowed 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.252 -179.644 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 169' ' ' GLN . . . . . 0.626 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 81.0 mm-40 40.95 15.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.518 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 170' ' ' GLY . . . . . 0.738 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 144.39 -3.17 1.38 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 171' ' ' CYS . . . . . 0.593 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 3.5 m -108.07 96.08 16.99 Favored Pre-proline 0 CA--C 1.535 0.393 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -73.61 160.64 43.72 Favored 'Trans proline' 0 N--CA 1.49 1.276 0 C-N-CA 121.522 1.481 . . . . 0.0 112.691 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -51.48 143.96 11.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.805 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -108.44 99.88 35.1 Favored Pre-proline 0 CA--C 1.535 0.384 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.634 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -78.71 133.86 11.77 Favored 'Trans proline' 0 N--CA 1.489 1.241 0 C-N-CA 121.859 1.706 . . . . 0.0 111.95 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 176' ' ' TRP . . . . . 0.695 ' HE1' ' CD2' ' A' ' 182' ' ' HIS . 0.9 OUTLIER -73.82 167.16 21.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 177' ' ' ASP . . . . . 0.502 ' N ' ' OD1' ' A' ' 177' ' ' ASP . 9.6 p30 -84.02 86.13 7.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.739 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 149.97 43.72 0.03 OUTLIER Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.491 -1.044 . . . . 0.0 110.491 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 179' ' ' LEU . . . . . 0.413 HD12 ' CD1' ' A' ' 176' ' ' TRP . 0.8 OUTLIER -73.92 -49.92 22.5 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.872 -179.678 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -59.48 -21.8 60.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.426 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -75.91 -62.0 1.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 182' ' ' HIS . . . . . 0.695 ' CD2' ' HE1' ' A' ' 176' ' ' TRP . 2.1 p80 -70.61 -28.13 64.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.996 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 49.9 m -69.51 -45.43 68.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.499 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -63.56 -38.48 91.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.542 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -56.58 -60.26 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.6 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 35.9 mt -67.76 -55.89 11.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.613 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 187' ' ' SER . . . . . 0.403 ' HA ' HD12 ' A' ' 152' ' ' ILE . 23.0 t -50.54 -26.31 5.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.6 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -72.73 -53.69 8.07 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 189' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 7.3 tpp180 -48.24 -56.09 8.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.807 0.337 . . . . 0.0 110.621 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.5 tp -53.55 -54.1 42.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.611 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -45.27 -36.95 4.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.605 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 192' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -64.85 -50.45 66.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.566 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 193' ' ' ILE . . . . . 0.671 HD11 ' OH ' ' A' ' 136' ' ' TYR . 10.5 mt -49.43 -49.0 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.455 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 47.8 mt . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.61 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.736 0.303 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.844 HD22 ' N ' ' A' ' 12' ' ' LEU . 1.0 OUTLIER -107.68 173.58 6.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.134 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.9 mtm -74.58 150.75 39.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.87 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 3.9 m-20 -63.63 141.99 97.95 Favored Pre-proline 0 CA--C 1.537 0.461 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.446 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.421 ' O ' ' OG1' ' A' ' 19' ' ' THR . 73.5 Cg_exo -40.73 -52.55 3.16 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 122.147 1.898 . . . . 0.0 112.393 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -64.02 -48.19 77.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.031 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mm -48.78 -39.9 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 0.0 110.447 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -76.07 -60.87 2.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.56 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.2 OUTLIER -48.74 -24.52 1.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.56 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.7 p -77.58 -49.1 15.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.53 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.427 ' ND2' ' CE1' ' A' ' 32' ' ' TYR . 2.3 m-20 -62.44 -30.44 71.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.558 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.435 ' C ' ' N ' ' A' ' 24' ' ' ASN . 99.1 m-85 -112.25 20.48 16.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.502 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -51.55 -12.68 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.497 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.435 ' N ' ' C ' ' A' ' 22' ' ' PHE . 9.7 t-20 63.89 98.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.475 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.25 77.04 1.14 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.446 ' C ' HD12 ' A' ' 26' ' ' ILE . 1.2 pp -140.82 -178.19 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 0.0 110.575 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.03 41.88 0.59 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.469 ' O ' ' CZ2' ' A' ' 98' ' ' TRP . 1.0 OUTLIER -105.21 149.01 26.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.558 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -92.15 85.36 5.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.391 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -171.1 49.26 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.455 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.723 HG22 ' CD2' ' A' ' 98' ' ' TRP . 3.5 p -46.35 157.66 0.13 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.288 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.427 ' CE1' ' ND2' ' A' ' 21' ' ' ASN . 3.7 m-85 -121.31 143.69 49.04 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.192 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 34' ' ' CYS . 8.4 tp -137.11 111.88 8.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.533 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.42 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -106.2 127.27 53.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.948 179.285 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 14.0 p90 -121.22 138.21 54.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.943 0.402 . . . . 0.0 111.035 -179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.01 134.06 29.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.105 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -95.67 145.12 8.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.925 0.393 . . . . 0.0 110.835 -179.634 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -139.95 128.9 23.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.414 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -81.32 135.91 35.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.521 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.6 mt -100.86 146.19 27.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.494 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -155.6 100.5 2.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.593 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.76 31.65 21.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.537 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.05 -24.9 29.83 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.3 m -72.61 108.01 5.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 0.0 110.61 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 60.5 p -98.81 108.79 21.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.577 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 46' ' ' VAL . 33.5 m -101.33 120.14 50.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.653 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -77.73 124.73 28.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.536 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 46.0 mtt -61.68 153.56 27.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.622 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.74 -50.23 6.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.492 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -104.94 74.94 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.318 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.493 ' N ' ' HE ' ' A' ' 52' ' ' ARG . 37.7 t-80 -164.59 22.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.682 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.697 ' H ' ' NE ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -101.04 152.36 20.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.512 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.44 151.4 21.29 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -149.42 142.03 24.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.804 0.335 . . . . 0.0 110.635 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.889 ' H ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -144.72 167.17 23.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.498 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.425 ' O ' ' O ' ' A' ' 57' ' ' ASN . 0.6 OUTLIER -104.08 159.02 16.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.511 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.425 ' O ' ' O ' ' A' ' 56' ' ' HIS . 45.4 p-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.612 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.655 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.848 0.356 . . . . 0.0 110.125 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.49 -47.38 3.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.999 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.522 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 19.0 mp0 -48.33 -43.7 33.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.944 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.475 HD13 ' ND1' ' A' ' 70' ' ' HIS . 10.8 mp -68.82 -55.08 12.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.606 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -44.38 -27.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.565 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.452 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 16.0 t80 -84.7 -44.15 13.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.578 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.0 tp -66.64 -19.99 65.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.635 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.72 -28.59 60.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.18 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.652 ' C ' HD12 ' A' ' 78' ' ' LEU . 3.9 pp -106.28 8.06 31.68 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.928 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.579 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -64.82 -41.03 52.99 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.952 179.849 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 36.0 Cg_exo -58.16 -17.35 31.72 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 C-N-CA 122.233 1.956 . . . . 0.0 111.963 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.3 t -55.4 -32.64 62.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.686 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.721 ' N ' HD22 ' A' ' 82' ' ' LEU . 2.8 mm? -80.69 -41.98 22.78 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.434 ' CB ' ' O ' ' A' ' 82' ' ' LEU . 13.3 tt0 76.6 41.13 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.677 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.4 mt -46.88 154.62 0.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.513 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.02 160.52 66.92 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.409 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -71.4 -15.22 31.23 Favored 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.511 2.141 . . . . 0.0 112.21 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.87 -78.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.493 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -98.59 155.1 17.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.365 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.0 mm -84.91 150.6 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.083 0.468 . . . . 0.0 110.444 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -137.23 179.03 6.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.66 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -148.91 107.06 3.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.476 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 70.7 t -88.99 107.96 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.371 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.3 m -93.12 124.33 37.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.524 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 25.9 m0 -100.6 131.26 46.6 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.022 0.439 . . . . 0.0 110.508 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -118.63 102.84 9.17 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.415 HG21 HD13 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -115.16 145.96 20.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.166 0.508 . . . . 0.0 111.711 -178.357 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.63 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 0.2 OUTLIER -95.72 -20.05 19.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.743 179.081 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.723 ' CD2' HG22 ' A' ' 31' ' ' THR . 22.8 m95 -117.05 163.98 15.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.219 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -79.64 158.14 73.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.479 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' A' ' 99' ' ' SER . 53.3 Cg_exo -42.38 171.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.369 0 C-N-CA 122.413 2.075 . . . . 0.0 112.235 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.59 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 0.1 OUTLIER -107.17 -45.05 4.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.327 179.686 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.59 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.3 OUTLIER -157.21 114.01 3.01 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 179.228 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 108' ' ' GLY . 96.4 p -39.09 -39.86 0.62 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.275 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -85.16 -21.85 29.04 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.37 -179.401 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.94 -63.89 1.51 Allowed Glycine 0 CA--C 1.525 0.7 0 C-N-CA 120.291 -0.957 . . . . 0.0 110.842 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 60.3 m -79.37 -69.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.748 0.309 . . . . 0.0 111.114 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.801 ' HB1' HD13 ' A' ' 143' ' ' LEU . . . -57.7 -25.78 60.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.618 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -67.38 -61.37 5.14 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.606 -0.997 . . . . 0.0 110.606 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -49.54 -29.6 7.15 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.875 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 3.7 t -71.82 -44.48 67.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.054 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 44.3 ttt85 -54.25 -58.75 6.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.209 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.65 -45.86 58.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.368 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 117' ' ' ASN . 5.6 t80 -53.13 -51.3 62.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.414 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 116' ' ' GLU . 8.9 mt -61.92 -58.57 7.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.448 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -49.68 -16.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.396 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 114' ' ' LEU . 36.8 tt0 -110.06 -22.5 11.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 113' ' ' PHE . 9.4 m-20 -135.19 46.88 2.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.782 0.325 . . . . 0.0 111.021 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.423 ' C ' ' H ' ' A' ' 120' ' ' VAL . 1.0 OUTLIER -49.72 -11.8 0.06 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.719 -179.858 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.51 ' CE1' ' CG2' ' A' ' 120' ' ' VAL . 6.6 p80 -76.94 19.3 0.3 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.887 0.375 . . . . 0.0 110.534 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.51 ' CG2' ' CE1' ' A' ' 119' ' ' HIS . 41.5 t -143.04 136.98 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.506 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -91.64 129.32 37.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.556 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.508 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -111.14 112.7 24.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.505 -179.763 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.508 ' N ' HD13 ' A' ' 122' ' ' LEU . 37.5 mtp180 -110.92 128.48 55.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.361 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.1 mm -106.53 125.3 62.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -123.94 105.02 9.26 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.761 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -96.07 111.12 23.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.157 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.63 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -78.54 -40.38 35.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -135.37 152.64 51.63 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.55 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.401 ' H ' ' CD ' ' A' ' 128' ' ' ARG . 3.5 mt -124.3 97.51 4.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.677 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -150.99 37.1 0.62 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.52 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 132' ' ' TYR . 11.0 t70 -84.01 160.04 21.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.641 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' TYR . . . . . 0.529 ' N ' ' OD1' ' A' ' 131' ' ' ASP . 0.2 OUTLIER -81.81 10.14 6.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.67 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.5 ' C ' ' H ' ' A' ' 135' ' ' LEU . 5.9 m-20 -126.02 78.66 70.06 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.748 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.479 ' C ' ' H ' ' A' ' 136' ' ' TYR . 50.7 Cg_exo -51.42 -4.11 0.08 OUTLIER 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.713 2.276 . . . . 0.0 112.357 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.5 ' H ' ' C ' ' A' ' 133' ' ' ASP . 5.8 mt -57.17 -4.4 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.583 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.479 ' H ' ' C ' ' A' ' 134' ' ' PRO . 1.5 p90 -46.14 -23.84 0.37 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.682 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 41.9 tttp -76.8 -62.27 1.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.335 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -52.2 -19.58 2.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.286 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -77.67 -55.3 5.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.361 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.9 tt -54.67 -20.66 8.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.333 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -83.99 -61.04 1.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.158 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -64.42 -24.19 67.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.963 -179.447 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.801 HD13 ' HB1' ' A' ' 107' ' ' ALA . 16.1 tp -79.98 -53.22 6.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.464 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -47.72 -42.23 24.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.456 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -23.07 67.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.607 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 143' ' ' LEU . . . -77.36 -20.2 55.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.616 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 112.59 -34.36 5.18 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.522 ' HB3' ' HG ' ' A' ' 143' ' ' LEU . . . -41.83 151.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.757 0.313 . . . . 0.0 110.469 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -97.4 137.96 35.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.572 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.31 119.99 45.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.493 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.16 161.87 41.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.596 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -90.91 144.26 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.53 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.587 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 9.3 ttt -55.88 115.01 2.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.502 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 23.8 p -98.16 167.05 11.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.645 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -48.14 -58.15 4.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.565 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.84 -46.94 21.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.633 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.64 -38.12 89.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.778 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.587 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 1.1 m-85 -62.21 -46.62 88.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.775 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 14.3 ttpp -55.29 -52.24 64.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' HIS . . . . . 0.599 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -67.32 -54.51 20.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.779 -179.667 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.599 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 8.4 t -56.3 -23.78 38.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.018 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 162' ' ' TRP . . . . . 0.632 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 3.2 t-105 -72.45 -68.07 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.89 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 163' ' ' ASP . . . . . 0.632 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.5 OUTLIER -64.57 -14.18 56.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.331 -179.23 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 98.3 m -82.91 -26.19 31.73 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.811 -0.355 . . . . 0.0 111.091 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -121.6 18.8 11.22 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.515 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.525 ' C ' ' H ' ' A' ' 168' ' ' HIS . 65.6 t -134.36 154.57 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 121.102 0.477 . . . . 0.0 111.266 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 167' ' ' ASP . . . . . 0.456 ' N ' HG12 ' A' ' 166' ' ' VAL . 1.6 t70 -76.08 33.24 0.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.557 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.746 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -37.95 -52.69 1.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.097 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 169' ' ' GLN . . . . . 0.623 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 15.0 mm-40 39.93 17.9 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.454 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 170' ' ' GLY . . . . . 0.746 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 141.68 -0.67 1.7 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 171' ' ' CYS . . . . . 0.606 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 1.4 m -114.31 86.89 12.68 Favored Pre-proline 0 CA--C 1.531 0.214 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -78.08 162.33 28.96 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.06 1.84 . . . . 0.0 112.732 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -51.53 136.45 26.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.644 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -120.21 84.45 34.2 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.657 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -48.66 138.97 24.74 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 122.257 1.971 . . . . 0.0 112.194 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -100.74 178.34 4.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.633 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 177' ' ' ASP . . . . . 0.435 ' N ' ' OD1' ' A' ' 177' ' ' ASP . 1.2 m-20 -81.25 86.8 6.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.582 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 155.8 -19.41 0.5 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.5 -45.7 80.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.529 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -59.49 4.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.622 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -55.15 -61.78 2.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.592 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -42.48 -42.36 3.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.593 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 2.8 t -58.28 -49.36 77.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.621 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -53.71 -35.75 61.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -61.81 -59.54 5.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.547 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 7.7 mt -55.96 -57.94 9.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.532 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 1.1 m -52.56 -44.49 65.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.557 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -52.12 -37.47 46.25 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -66.25 -58.82 4.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.788 0.327 . . . . 0.0 110.569 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -46.95 -39.16 11.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.416 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -66.32 -48.82 69.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.522 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -47.66 -48.86 28.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.564 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 193' ' ' ILE . . . . . 0.536 ' N ' HD12 ' A' ' 193' ' ' ILE . 1.7 mp -69.56 -30.6 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.597 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 2.3 tp . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.535 -179.967 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.818 0.342 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.822 HD22 ' N ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -98.36 174.31 6.55 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.397 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.527 ' HB2' HD11 ' A' ' 17' ' ' ILE . 1.1 ptp -76.97 167.49 21.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.079 179.128 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -74.7 123.92 89.34 Favored Pre-proline 0 CA--C 1.539 0.52 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.614 -179.617 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.424 ' O ' ' OG1' ' A' ' 19' ' ' THR . 72.2 Cg_exo -43.24 -17.1 0.09 OUTLIER 'Trans proline' 0 N--CA 1.491 1.348 0 C-N-CA 121.767 1.645 . . . . 0.0 111.546 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.568 ' CG ' ' N ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -75.41 -58.31 3.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.001 -179.707 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.568 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 26.3 pt -61.86 -19.69 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.888 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -74.0 -61.26 1.91 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.663 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -53.69 -23.92 12.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.162 179.618 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.459 ' C ' ' H ' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -85.21 -61.05 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.609 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 17' ' ' ILE . 58.0 m-80 -55.98 -6.28 0.23 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.711 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.459 ' H ' ' C ' ' A' ' 20' ' ' SER . 34.8 m-85 -127.99 12.6 6.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.734 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.39 109.56 12.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.584 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.414 ' OD1' ' NH2' ' A' ' 128' ' ' ARG . 0.5 OUTLIER -41.08 135.68 1.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.648 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.758 ' H ' HH12 ' A' ' 128' ' ' ARG . . . 88.37 98.61 0.96 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.4 pt -147.85 -171.67 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.736 0.303 . . . . 0.0 110.545 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.58 46.62 0.07 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.52 162.12 35.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.767 0.318 . . . . 0.0 110.576 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -99.87 100.97 11.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.77 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -172.51 36.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.217 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.702 HG22 ' CD2' ' A' ' 98' ' ' TRP . 1.3 p -47.49 162.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.946 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -125.28 149.03 48.43 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.379 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.6 tp -134.25 112.97 11.5 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.618 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.0 103.06 12.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.955 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.467 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 34.4 p90 -95.4 136.97 35.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 -179.377 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -121.83 157.54 30.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.961 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.763 HG11 ' CE1' ' A' ' 51' ' ' HIS . 6.2 t -135.19 128.87 49.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.353 . . . . 0.0 110.86 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.57 139.44 31.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.609 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.5 HH22 ' CD ' ' A' ' 88' ' ' GLN . 5.6 ptm85 -92.16 146.49 23.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.591 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 mp -103.89 132.35 50.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.634 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -145.17 101.98 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.589 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.527 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 1.6 t30 56.72 38.69 29.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.52 -26.98 8.27 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.7 m -72.3 114.51 10.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.77 0.319 . . . . 0.0 110.601 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.0 m -102.02 106.91 17.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.586 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 63.4 t -95.29 132.4 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.411 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -89.76 136.85 32.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.644 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -91.15 146.21 24.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.481 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.68 -49.81 6.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.612 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -97.9 72.33 2.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.615 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.763 ' CE1' HG11 ' A' ' 37' ' ' VAL . 23.5 t-80 -170.42 -7.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.556 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.404 ' H ' ' H ' ' A' ' 51' ' ' HIS . 2.2 ptt180 -103.57 170.77 7.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.625 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.467 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . 177.17 178.94 47.26 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -142.16 147.69 37.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.827 0.346 . . . . 0.0 110.714 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mp -134.85 178.57 6.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.701 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.646 ' CE1' HH22 ' A' ' 74' ' ' ARG . 10.2 p80 -135.31 160.58 37.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.577 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--N 1.33 -0.26 0 CA-C-O 120.895 0.378 . . . . 0.0 110.647 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.495 ' CE1' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.785 0.326 . . . . 0.0 110.63 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.63 ' HB2' ' C ' ' A' ' 56' ' ' HIS . . . -56.27 -36.3 68.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.484 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.456 ' CB ' ' SG ' ' A' ' 106' ' ' CYS . 1.1 mm-40 -45.65 -42.28 11.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.661 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.495 HD12 ' CE1' ' A' ' 70' ' ' HIS . 13.9 mt -68.31 -57.63 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.486 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.646 HH22 ' CE1' ' A' ' 56' ' ' HIS . 5.0 ttm180 -47.42 -26.44 1.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.379 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -79.14 -37.39 38.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.435 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.94 -30.12 68.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.26 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -74.17 -18.12 60.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.386 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.53 HD23 ' HB2' ' A' ' 81' ' ' SER . 0.9 OUTLIER -79.31 -27.89 42.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.604 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.411 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 4.7 t -38.69 -59.81 1.26 Allowed Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.556 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.491 ' C ' ' H ' ' A' ' 82' ' ' LEU . 8.5 Cg_endo -50.62 -42.51 49.6 Favored 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 121.884 1.723 . . . . 0.0 111.998 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.53 ' HB2' HD23 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -52.57 -8.95 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.571 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.506 HD22 ' NE2' ' A' ' 51' ' ' HIS . 44.9 mt -102.08 -24.38 13.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.522 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 47.79 50.84 14.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.68 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 mt -61.82 134.48 56.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.569 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.53 160.92 26.03 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.403 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' A' ' 87' ' ' ALA . 43.1 Cg_endo -70.01 3.83 2.66 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 122.525 2.15 . . . . 0.0 112.272 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 86' ' ' PRO . . . -41.21 -94.63 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.67 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.532 ' H ' ' CD ' ' A' ' 88' ' ' GLN . 0.5 OUTLIER -103.36 -177.06 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.575 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' ' 90' ' ' TYR . 3.2 mm -84.94 157.48 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.559 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.478 ' N ' HG22 ' A' ' 89' ' ' ILE . 10.9 m-85 -136.01 168.81 18.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.673 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.532 ' NH1' HH11 ' A' ' 123' ' ' ARG . 11.2 ttt180 -148.12 112.42 5.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.449 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 82.3 t -96.8 118.88 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.3 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.9 m -102.59 121.6 42.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 27.9 m0 -100.6 131.14 46.67 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.98 0.419 . . . . 0.0 110.675 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -120.7 102.76 8.61 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 177.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -109.94 137.06 43.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.166 0.508 . . . . 0.0 111.934 -177.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.497 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 3.0 p -80.71 -26.59 37.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.453 178.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.702 ' CD2' HG22 ' A' ' 31' ' ' THR . 13.2 m95 -110.87 178.3 4.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.018 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.45 ' CB ' HG23 ' A' ' 129' ' ' ILE . 1.8 t -92.37 151.31 41.31 Favored Pre-proline 0 CA--C 1.532 0.272 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.581 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 99' ' ' SER . 64.2 Cg_exo -42.2 171.02 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.355 0 C-N-CA 122.195 1.93 . . . . 0.0 112.317 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.586 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 30.3 p -108.05 -126.8 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.391 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.586 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -73.42 105.74 4.92 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.2 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.88 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 89.4 p -40.03 -25.87 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.015 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.458 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -84.9 -29.34 25.28 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.201 -179.581 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -77.3 -61.69 2.58 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' CYS . . . . . 0.456 ' SG ' ' CB ' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -74.1 -69.17 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.688 0.28 . . . . 0.0 111.219 -179.644 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.88 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -50.69 -27.64 7.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.088 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.13 -56.89 10.49 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.17 -39.04 81.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.79 0.328 . . . . 0.0 110.528 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 91.0 t -69.48 -58.57 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.515 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -41.87 -59.02 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.438 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.28 -46.3 62.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.522 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.514 ' O ' ' N ' ' A' ' 117' ' ' ASN . 20.3 t80 -54.35 -48.44 71.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.627 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.448 ' C ' ' N ' ' A' ' 116' ' ' GLU . 6.9 mp -66.66 -58.52 4.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.573 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -47.71 -18.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.301 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 114' ' ' LEU . 30.2 tt0 -110.21 -25.4 10.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.709 ' O ' HG12 ' A' ' 120' ' ' VAL . 2.2 m-80 -137.03 53.9 1.88 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.843 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.0 t -61.83 2.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.827 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.48 ' H ' ' C ' ' A' ' 117' ' ' ASN . 1.4 p-80 -76.07 6.99 4.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.88 0.372 . . . . 0.0 110.313 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.709 HG12 ' O ' ' A' ' 117' ' ' ASN . 7.1 p -131.68 144.61 36.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.488 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.35 148.7 22.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.389 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.509 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -135.08 112.95 10.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.689 -179.557 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.532 HH11 ' NH1' ' A' ' 91' ' ' ARG . 17.1 mtp180 -112.58 127.06 55.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.123 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.0 mm -105.93 121.33 58.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.091 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.403 ' CD1' ' OE1' ' A' ' 157' ' ' GLU . 61.1 m-85 -119.89 101.77 8.1 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.807 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -91.64 111.29 22.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.159 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.497 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -76.38 -56.39 4.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.115 -179.54 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.758 HH12 ' H ' ' A' ' 25' ' ' GLY . 13.1 mtp180 -121.05 170.66 9.31 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.905 0.383 . . . . 0.0 110.784 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.45 HG23 ' CB ' ' A' ' 99' ' ' SER . 6.2 mt -133.94 124.66 47.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.753 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -165.38 107.72 0.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.509 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -171.31 138.78 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.63 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -75.25 9.99 1.79 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.394 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.516 ' C ' ' H ' ' A' ' 135' ' ' LEU . 50.6 m-20 -120.84 81.97 34.77 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.503 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.477 ' C ' ' H ' ' A' ' 136' ' ' TYR . 50.3 Cg_exo -50.18 -4.26 0.06 OUTLIER 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 122.527 2.151 . . . . 0.0 112.543 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.516 ' H ' ' C ' ' A' ' 133' ' ' ASP . 5.4 mt -49.99 -10.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.624 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.477 ' H ' ' C ' ' A' ' 134' ' ' PRO . 1.1 p90 -48.9 -30.81 6.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.524 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.409 ' CG ' ' N ' ' A' ' 138' ' ' GLU . 33.1 pttt -61.08 -45.67 93.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.266 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.409 ' N ' ' CG ' ' A' ' 137' ' ' LYS . 4.8 tt0 -61.85 -37.74 85.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.401 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -58.67 -38.57 78.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.387 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.8 mt -67.28 -38.15 84.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.571 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -74.32 -60.74 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.662 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.8 mmm -46.47 -38.29 8.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.505 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.496 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 16.8 mt -64.9 -49.1 71.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.421 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -49.09 -53.34 21.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.505 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.422 ' N ' ' OD1' ' A' ' 145' ' ' ASP . 1.6 m-20 -58.15 -11.15 2.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.531 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 143' ' ' LEU . . . -96.71 5.01 51.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.652 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 67.21 15.35 65.33 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -85.27 159.39 20.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.726 0.298 . . . . 0.0 110.579 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -96.7 134.09 40.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.55 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.87 116.58 30.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.537 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.18 160.21 42.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.612 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -85.79 142.38 13.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.49 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.54 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 4.5 ttt -49.91 122.31 6.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.521 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 25.1 p -100.51 177.12 5.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.688 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -63.64 -44.28 94.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.728 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.68 -46.11 90.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.622 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' GLU . . . . . 0.403 ' OE1' ' CD1' ' A' ' 125' ' ' PHE . 65.1 mt-10 -64.66 -29.15 70.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.63 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.54 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 0.5 OUTLIER -64.78 -51.59 61.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.664 -179.9 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 159' ' ' LYS . . . . . 0.431 ' O ' ' OD2' ' A' ' 163' ' ' ASP . 32.3 tttm -56.41 -49.66 73.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 160' ' ' HIS . . . . . 0.592 ' CD2' ' N ' ' A' ' 161' ' ' CYS . 0.6 OUTLIER -66.94 -57.85 6.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.849 -179.714 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.592 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 12.7 t -56.41 -23.37 37.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.021 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 162' ' ' TRP . . . . . 0.614 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 6.6 t-105 -71.02 -70.68 0.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.18 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 163' ' ' ASP . . . . . 0.614 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.3 OUTLIER -66.91 -14.32 62.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.652 -179.025 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 79.8 m -81.28 -27.0 35.28 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.126 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -121.85 19.63 10.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.752 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.54 ' C ' ' H ' ' A' ' 168' ' ' HIS . 75.5 t -134.14 153.48 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 121.062 0.458 . . . . 0.0 111.552 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 167' ' ' ASP . . . . . 0.414 ' N ' HG12 ' A' ' 166' ' ' VAL . 15.3 t70 -76.12 34.55 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.282 179.174 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.729 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -41.22 -54.33 2.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.733 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 169' ' ' GLN . . . . . 0.623 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 64.4 mt-30 41.93 16.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.141 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 170' ' ' GLY . . . . . 0.729 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 144.16 -2.5 1.36 Allowed Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.367 -0.693 . . . . 0.0 111.367 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 171' ' ' CYS . . . . . 0.623 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 0.5 OUTLIER -98.97 107.19 42.46 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.783 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -77.12 158.34 33.91 Favored 'Trans proline' 0 N--CA 1.489 1.235 0 C-N-CA 121.711 1.607 . . . . 0.0 112.398 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -51.54 149.96 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.697 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -114.29 84.78 9.75 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.434 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -77.84 131.27 11.06 Favored 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 122.142 1.895 . . . . 0.0 112.198 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 27.9 p90 -92.27 176.18 6.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.564 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.28 86.46 5.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.366 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 180' ' ' ASP . . . -168.18 -22.33 0.02 OUTLIER Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 179' ' ' LEU . . . . . 0.527 ' H ' HD12 ' A' ' 179' ' ' LEU . 10.4 mp -39.38 -30.11 0.06 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.934 0.397 . . . . 0.0 110.657 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 180' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 178' ' ' GLY . 1.9 m-20 -55.97 -63.41 1.19 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.212 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -84.89 -54.89 4.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 182' ' ' HIS . . . . . 0.461 ' ND1' ' C ' ' A' ' 182' ' ' HIS . 0.0 OUTLIER -41.71 -44.0 3.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.052 -179.337 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 183' ' ' SER . . . . . 0.417 ' OG ' ' N ' ' A' ' 184' ' ' GLN . 5.5 p -78.99 -55.88 4.8 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.749 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 184' ' ' GLN . . . . . 0.417 ' N ' ' OG ' ' A' ' 183' ' ' SER . 31.6 mt-30 -49.23 -23.22 1.25 Allowed 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.402 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -79.29 -63.24 1.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.475 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 4.8 mt -58.77 -53.37 59.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.378 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 8.0 t -59.98 -43.33 95.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.257 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -51.64 -43.35 53.36 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 12.6 mmm-85 -59.84 -61.32 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.753 0.311 . . . . 0.0 110.234 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.9 mp -45.92 -45.11 15.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.35 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -53.15 -41.19 64.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.41 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -61.22 -41.85 97.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.563 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 193' ' ' ILE . . . . . 0.53 ' N ' HD12 ' A' ' 193' ' ' ILE . 1.8 mp -69.92 -34.79 61.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.466 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.652 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.772 ' C ' HD13 ' A' ' 12' ' ' LEU . 1.6 t-80 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.027 0.442 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.904 ' H ' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -119.52 164.01 16.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.885 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 18.6 ptp -91.0 166.97 12.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.381 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.71 141.62 97.86 Favored Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.5 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.439 ' O ' ' OG1' ' A' ' 19' ' ' THR . 73.6 Cg_exo -41.14 -46.88 5.3 Favored 'Trans proline' 0 N--CA 1.489 1.259 0 C-N-CA 122.031 1.821 . . . . 0.0 112.366 179.464 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -67.49 -45.23 76.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.272 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.9 mm -48.84 -43.62 14.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.699 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -71.29 -60.96 1.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.788 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.529 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -44.48 -55.74 4.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.514 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.7 t -49.77 -52.1 34.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.685 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.42 ' OD1' ' CE1' ' A' ' 32' ' ' TYR . 6.8 m120 -63.02 -15.49 56.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.63 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -133.16 35.01 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.63 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 19' ' ' THR . 27.5 t-20 -98.69 59.56 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.613 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.429 ' O ' ' O ' ' A' ' 23' ' ' ASN . 0.6 OUTLIER 41.77 94.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.577 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.695 ' H ' ' HE ' ' A' ' 128' ' ' ARG . . . 105.14 166.99 23.98 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.493 ' C ' HD12 ' A' ' 26' ' ' ILE . 1.4 pp -140.39 -167.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 121.13 -0.228 . . . . 0.0 110.486 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -117.59 -88.76 1.33 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.97 137.1 3.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.0 110.617 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 47.3 68.48 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.471 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.85 20.48 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.33 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.678 HG22 ' CG ' ' A' ' 98' ' ' TRP . 30.0 p -46.93 127.25 9.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.798 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.42 ' CE1' ' OD1' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -109.11 147.65 32.1 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.525 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.7 tp -142.96 111.73 6.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.365 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.539 ' SG ' ' CG ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -100.19 115.15 29.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.143 179.585 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.468 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 42.0 p90 -104.17 134.45 47.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.727 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 1.3 tm-20 -129.76 130.96 46.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.415 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.679 HG21 ' ND1' ' A' ' 51' ' ' HIS . 58.9 t -104.67 118.94 52.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.775 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -122.26 166.31 14.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.304 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -128.71 133.42 48.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.185 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.411 ' CB ' HD11 ' A' ' 89' ' ' ILE . 1.4 mp -101.4 99.09 9.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.836 0.351 . . . . 0.0 110.672 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.83 99.08 8.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.564 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 54.12 48.3 21.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.691 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.51 -24.9 4.69 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.6 m -71.04 101.18 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.734 0.302 . . . . 0.0 110.585 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.7 p -90.56 122.99 33.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.539 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -133.76 124.97 48.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.606 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 pttp -81.71 139.54 34.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.548 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 mmt -76.45 161.41 28.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.601 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.91 -50.25 5.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.552 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.446 ' O ' ' CG ' ' A' ' 50' ' ' GLN . 1.4 pt20 -106.71 77.4 1.18 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.407 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.845 ' NE2' HD22 ' A' ' 82' ' ' LEU . 8.3 t-80 -172.29 2.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.518 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.401 ' H ' ' H ' ' A' ' 51' ' ' HIS . 1.4 ptt180 -113.34 170.14 8.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.665 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.468 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . 172.75 -167.7 40.61 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -144.29 156.52 44.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.786 0.327 . . . . 0.0 110.617 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.2 mt -137.5 178.61 6.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.583 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -154.93 151.02 28.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.377 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 15.4 p-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.732 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.904 0.383 . . . . 0.0 110.523 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.46 -42.23 62.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.408 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -50.84 -35.9 34.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.621 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.7 mp -70.5 -54.0 13.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.531 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -55.52 -24.66 33.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.353 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -74.51 -49.43 22.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.235 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.4 tp -61.42 -19.46 61.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.469 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -40.31 94.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.625 -179.356 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 pp -95.25 -5.32 43.98 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.283 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.42 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 3.2 t -55.04 -58.06 16.6 Favored Pre-proline 0 CA--C 1.535 0.376 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.386 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 12.9 Cg_endo -56.82 -17.37 23.22 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.599 1.532 . . . . 0.0 111.827 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 p -66.74 -8.75 30.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.621 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.845 HD22 ' NE2' ' A' ' 51' ' ' HIS . 33.6 mt -92.28 -24.74 18.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.579 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 51.08 49.49 21.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.814 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.4 mt -58.25 136.86 57.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.348 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.0 161.38 25.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.62 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.88 -10.52 24.89 Favored 'Trans proline' 0 C--N 1.31 -1.481 0 C-N-CA 122.664 2.243 . . . . 0.0 112.1 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.85 -77.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.691 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.42 ' N ' ' OE1' ' A' ' 88' ' ' GLN . 2.4 mp0 -109.54 161.47 15.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.453 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.411 HD11 ' CB ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -89.08 153.33 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.415 179.877 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -129.23 132.17 47.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -97.97 110.58 23.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.771 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.7 t -90.64 110.28 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.203 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.74 119.36 32.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.67 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -103.55 132.02 50.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.786 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.535 ' CE1' ' OE1' ' A' ' 157' ' ' GLU . 79.5 m-85 -125.13 103.32 7.92 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.528 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.79 145.67 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.095 0.474 . . . . 0.0 111.886 -178.044 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.664 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 2.8 p -96.95 -29.54 13.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.955 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.678 ' CG ' HG22 ' A' ' 31' ' ' THR . 15.8 m95 -111.72 140.78 46.06 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.583 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.03 160.7 54.3 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.426 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -60.25 173.01 2.13 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 122.517 2.144 . . . . 0.0 112.108 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -111.76 -57.35 2.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.2 OUTLIER -127.0 109.28 11.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.859 179.817 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.528 ' O ' ' N ' ' A' ' 108' ' ' GLY . 93.5 p -41.11 -34.67 0.47 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.893 -179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -85.28 -22.81 28.42 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.371 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.36 -63.17 1.59 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.7 -67.99 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.643 0.258 . . . . 0.0 111.105 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.599 ' HB1' HD13 ' A' ' 143' ' ' LEU . . . -60.04 -31.06 69.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.935 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -65.23 -59.24 8.12 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -53.83 -27.91 32.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.91 0.386 . . . . 0.0 110.303 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.7 t -72.28 -63.01 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.75 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.408 HH22 ' HE2' ' A' ' 142' ' ' MET . 8.9 ptp180 -51.2 -32.2 22.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.205 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.36 -61.62 2.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.148 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.408 ' CZ ' ' CG1' ' A' ' 79' ' ' VAL . 31.6 t80 -46.29 -31.36 2.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.175 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.3 tp -70.92 -52.9 17.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.27 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -48.67 -24.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.36 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -99.15 -46.35 5.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.16 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.631 ' O ' HG22 ' A' ' 120' ' ' VAL . 0.7 OUTLIER -104.3 41.59 1.29 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.998 -179.493 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.454 ' C ' ' H ' ' A' ' 120' ' ' VAL . 15.1 t -45.56 -13.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.146 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.538 ' CE1' ' CG1' ' A' ' 120' ' ' VAL . 17.6 p80 -76.24 20.37 0.21 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.918 0.389 . . . . 0.0 110.579 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 117' ' ' ASN . 4.2 m -142.0 146.58 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.825 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.32 148.45 22.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.191 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.493 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -127.18 112.31 14.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.618 -179.655 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.493 ' N ' HD13 ' A' ' 122' ' ' LEU . 44.9 mtp180 -117.17 117.68 30.24 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.954 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.7 mt -105.63 134.76 46.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.372 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -127.13 116.25 20.37 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.438 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -95.31 113.83 25.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.254 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.664 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -85.93 -41.21 15.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.695 ' HE ' ' H ' ' A' ' 25' ' ' GLY . 0.5 OUTLIER -135.72 142.99 45.12 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.446 179.826 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.521 ' O ' ' CG ' ' A' ' 130' ' ' TYR . 0.5 OUTLIER -103.15 119.83 52.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.747 -179.754 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.521 ' CG ' ' O ' ' A' ' 129' ' ' ILE . 28.3 m-85 -164.64 119.77 1.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.451 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.47 ' C ' ' H ' ' A' ' 133' ' ' ASP . 1.8 p-10 -179.77 133.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.603 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -70.04 9.89 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.503 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.507 ' C ' ' H ' ' A' ' 135' ' ' LEU . 35.2 t0 -126.23 79.4 70.03 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.344 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.481 ' C ' ' H ' ' A' ' 136' ' ' TYR . 52.9 Cg_exo -49.11 -5.27 0.05 OUTLIER 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 122.669 2.246 . . . . 0.0 112.625 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.507 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.6 tp -49.17 -11.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.36 . . . . 0.0 110.63 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.481 ' H ' ' C ' ' A' ' 134' ' ' PRO . 0.1 OUTLIER -42.17 -26.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.534 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -62.83 -55.94 21.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.388 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -62.61 -18.77 62.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.432 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 136' ' ' TYR . . . -67.83 -52.02 41.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.449 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.422 HD21 HD11 ' A' ' 190' ' ' LEU . 9.8 mp -63.54 -35.61 81.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.52 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -71.58 -58.06 3.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.536 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.408 ' HE2' HH22 ' A' ' 111' ' ' ARG . 5.8 mmm -47.06 -36.44 8.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.491 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.599 HD13 ' HB1' ' A' ' 107' ' ' ALA . 2.1 tp -80.56 -34.01 35.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.585 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -52.98 -37.66 61.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.55 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.33 -3.04 58.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.525 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -95.29 -22.13 17.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.632 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 90.25 87.5 1.34 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -156.54 163.7 39.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.753 0.311 . . . . 0.0 110.537 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.1 108.31 19.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.678 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -116.82 121.35 67.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.436 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.36 162.09 41.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.825 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.3 tp -82.74 152.19 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.415 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 9.0 ttm -45.71 123.58 4.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.658 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' THR . . . . . 0.455 ' H ' ' HB2' ' A' ' 157' ' ' GLU . 2.6 p -105.41 171.98 7.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.477 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -55.84 -59.22 5.18 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.397 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 156' ' ' ASP . 13.2 p-10 -60.7 -20.44 61.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.543 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 157' ' ' GLU . . . . . 0.535 ' OE1' ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -51.15 -66.19 0.43 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 -179.527 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.575 ' CE1' ' CE2' ' A' ' 173' ' ' PHE . 13.2 p90 -72.32 -29.69 64.06 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.136 -179.233 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 159' ' ' LYS . . . . . 0.445 ' N ' ' CD1' ' A' ' 158' ' ' PHE . 19.9 tttp -49.28 -60.75 2.55 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.543 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 160' ' ' HIS . . . . . 0.552 ' CD2' ' N ' ' A' ' 161' ' ' CYS . 0.2 OUTLIER -68.22 -57.74 5.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.901 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.552 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 1.7 m -47.29 -31.58 3.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.837 -179.656 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 162' ' ' TRP . . . . . 0.514 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 15.5 t-105 -66.86 -70.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.475 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 163' ' ' ASP . . . . . 0.514 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -52.96 -19.42 2.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.843 -179.839 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 5.1 m -87.69 -57.13 3.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.955 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.539 ' CG ' ' SG ' ' A' ' 34' ' ' CYS . 65.4 m-85 -85.72 20.0 2.29 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.268 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.495 ' C ' ' H ' ' A' ' 168' ' ' HIS . 61.1 t -144.03 134.87 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.295 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 167' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 169' ' ' GLN . 10.3 t0 -74.98 41.52 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 178.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.693 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -44.47 -15.75 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.542 -179.612 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 169' ' ' GLN . . . . . 0.528 ' N ' ' O ' ' A' ' 167' ' ' ASP . 35.3 mm-40 42.78 15.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.474 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 170' ' ' GLY . . . . . 0.693 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 122.79 29.79 1.22 Allowed Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.439 -0.665 . . . . 0.0 111.439 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 171' ' ' CYS . . . . . 0.625 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.8 OUTLIER -116.12 85.21 14.92 Favored Pre-proline 0 CA--C 1.534 0.333 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.695 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -47.96 162.17 0.3 Allowed 'Trans proline' 0 N--CA 1.492 1.412 0 C-N-CA 122.428 2.086 . . . . 0.0 112.582 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.575 ' CE2' ' CE1' ' A' ' 158' ' ' PHE . 56.1 t80 -54.53 149.92 9.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.175 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -114.51 86.0 11.87 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.203 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -78.13 139.17 16.79 Favored 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 122.167 1.912 . . . . 0.0 112.649 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 42.9 p90 -98.12 -165.64 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.525 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -101.72 109.99 21.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.627 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 152.24 -19.11 0.82 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.856 -0.897 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.3 mp -40.5 -41.52 1.45 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.736 0.303 . . . . 0.0 110.743 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 180' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 180' ' ' ASP . 17.4 p-10 -68.74 -52.18 33.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.839 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -60.84 -61.69 2.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.737 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -48.55 -55.0 12.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.603 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 59.3 p -50.01 -46.69 53.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.634 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -61.37 -36.97 81.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.536 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -70.05 -65.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.58 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 7.0 mt -52.3 -53.2 47.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.536 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 17.5 t -55.65 -33.16 63.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.502 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -59.06 -48.17 87.22 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 189' ' ' ARG . . . . . 0.503 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 24.9 ttp180 -60.19 -51.51 69.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 110.451 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.422 HD11 HD21 ' A' ' 140' ' ' LEU . 0.4 OUTLIER -47.88 -48.33 31.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.349 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -66.56 -27.64 67.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.56 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 192' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -60.88 -40.43 92.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.577 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 193' ' ' ILE . . . . . 0.562 ' N ' HD12 ' A' ' 193' ' ' ILE . 1.7 mp -84.79 -27.39 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.566 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.644 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.411 ' C ' HD22 ' A' ' 12' ' ' LEU . 1.2 p-80 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.878 0.37 . . . . 0.0 110.485 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.832 HD22 ' N ' ' A' ' 12' ' ' LEU . 1.5 mm? -100.87 172.96 6.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.951 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.489 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 1.7 mpp? -84.56 160.33 20.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.216 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -76.33 145.77 76.74 Favored Pre-proline 0 CA--C 1.535 0.393 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.481 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -40.56 -53.01 2.9 Favored 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 122.172 1.915 . . . . 0.0 112.341 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -63.14 -49.23 75.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.099 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.9 mm -48.9 -39.8 11.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.85 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -72.16 -60.55 2.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.756 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 23' ' ' ASN . 40.0 p -47.89 -40.96 23.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.684 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 t -60.51 -51.04 71.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.638 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.449 ' OD1' ' CD1' ' A' ' 32' ' ' TYR . 25.4 m-80 -73.98 -4.71 36.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.574 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -133.26 25.22 4.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.539 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' A' ' 19' ' ' THR . 48.7 t-20 -75.08 59.39 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.498 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.475 ' O ' HG23 ' A' ' 26' ' ' ILE . 5.1 t-20 42.05 -144.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.472 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -42.75 126.25 4.64 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.475 HG23 ' O ' ' A' ' 24' ' ' ASN . 5.9 pt -135.12 -174.96 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.828 0.347 . . . . 0.0 110.576 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.79 83.35 0.08 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.522 ' O ' ' CH2' ' A' ' 98' ' ' TRP . 0.2 OUTLIER -162.52 157.35 22.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 110.526 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -93.65 82.15 4.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.537 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.405 ' HA ' HD21 ' A' ' 57' ' ' ASN . 4.0 ttpt -169.71 45.17 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.678 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.515 HG22 ' CG ' ' A' ' 57' ' ' ASN . 3.0 t -46.58 148.88 0.88 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.858 0.361 . . . . 0.0 111.125 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.449 ' CD1' ' OD1' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -110.43 148.27 32.37 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.643 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.407 HD12 ' N ' ' A' ' 34' ' ' CYS . 9.1 tp -138.55 111.13 7.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.152 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.407 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -104.41 112.17 25.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.329 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.562 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 20.8 p90 -102.53 139.52 38.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 1.1 tm-20 -125.51 139.17 53.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.198 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.771 HG11 ' CE1' ' A' ' 51' ' ' HIS . 8.7 t -110.17 128.22 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -136.61 149.58 48.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.389 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.488 ' NH1' ' OD2' ' A' ' 41' ' ' ASP . 58.4 ttt-85 -104.42 133.58 49.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.602 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 tp -91.31 127.94 36.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.578 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.488 ' OD2' ' NH1' ' A' ' 39' ' ' ARG . 1.7 t70 -143.38 106.71 4.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.609 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.443 ' C ' ' H ' ' A' ' 44' ' ' THR . 49.2 t30 57.12 43.46 24.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.565 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.15 -25.43 1.9 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.443 ' H ' ' C ' ' A' ' 42' ' ' ASN . 96.3 m -79.71 113.03 17.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 0.0 110.548 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.1 p -79.44 148.79 31.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.546 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.2 t -128.79 99.73 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.495 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -68.77 136.69 53.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.571 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 mtp -97.16 150.44 20.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.587 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -93.46 -50.08 5.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.635 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.578 ' NE2' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -100.14 74.5 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.482 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.771 ' CE1' HG11 ' A' ' 37' ' ' VAL . 24.2 t-80 -172.25 -5.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.476 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.415 ' H ' ' H ' ' A' ' 51' ' ' HIS . 0.1 OUTLIER -100.9 170.97 7.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.555 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -175.91 178.52 47.39 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -139.51 148.23 42.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.725 0.298 . . . . 0.0 110.566 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mt -135.87 176.21 8.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.579 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.704 ' C ' ' HB2' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -139.81 152.82 46.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.328 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.551 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 3.1 p-10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.612 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.81 0.338 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.704 ' HB2' ' C ' ' A' ' 56' ' ' HIS . . . -56.1 -15.24 3.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.27 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -48.2 -52.22 21.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.472 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.4 mt -63.07 -51.9 64.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.353 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.87 -28.36 22.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.3 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.562 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 54.9 t80 -79.8 -39.4 30.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.371 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.1 tp -58.77 -23.8 60.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.058 0.456 . . . . 0.0 110.055 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.1 -15.62 61.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.53 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.6 tt -93.42 -16.37 24.65 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.194 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.562 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -58.03 -42.05 93.1 Favored Pre-proline 0 CA--C 1.532 0.278 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.57 -178.923 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 9.5 Cg_exo -68.27 -24.07 38.04 Favored 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.519 2.146 . . . . 0.0 111.913 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -8.57 54.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.816 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.502 HD22 ' NE2' ' A' ' 51' ' ' HIS . 29.7 mt -98.29 2.29 48.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.778 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 51.63 12.36 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.662 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.598 HD11 ' CD1' ' A' ' 90' ' ' TYR . 0.9 OUTLIER -47.99 120.73 3.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.522 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.74 162.31 20.08 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -73.26 -25.91 15.19 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 C-N-CA 122.618 2.212 . . . . 0.0 112.005 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.47 -71.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.792 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.489 ' N ' ' OE1' ' A' ' 88' ' ' GLN . 0.8 OUTLIER -84.01 -175.61 5.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.526 -179.796 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.619 ' H ' HD12 ' A' ' 89' ' ' ILE . 0.2 OUTLIER -121.83 157.28 25.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.251 179.736 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.598 ' CD1' HD11 ' A' ' 84' ' ' LEU . 62.8 m-85 -150.69 135.91 17.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.96 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.58 HH21 ' CZ ' ' A' ' 123' ' ' ARG . 4.7 ttp180 -91.19 109.77 21.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.522 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 38.1 t -95.63 116.82 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.043 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.58 114.25 28.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.343 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 23.9 m0 -100.54 132.26 46.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.799 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -125.14 103.24 7.88 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.14 144.71 17.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.365 -178.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.647 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 1.6 p -94.58 -27.96 15.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.111 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.522 ' CH2' ' O ' ' A' ' 28' ' ' ARG . 17.5 m95 -111.65 147.08 36.29 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.169 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -70.3 157.92 88.79 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.642 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' A' ' 99' ' ' SER . 53.8 Cg_exo -42.32 171.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 122.462 2.108 . . . . 0.0 112.354 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 p -116.01 -44.68 2.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.292 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.524 ' O ' ' N ' ' A' ' 105' ' ' GLY . 3.2 t80 -143.79 114.39 7.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.976 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 54.1 p -42.88 -36.14 1.41 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.795 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -84.98 -19.2 32.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.086 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.45 -62.89 1.6 Allowed Glycine 0 CA--C 1.526 0.754 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.442 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.59 -69.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 0.0 111.328 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.97 -21.88 59.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.012 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -73.01 -59.6 4.22 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -53.13 -38.86 63.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.785 0.326 . . . . 0.0 110.548 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 74.6 t -69.68 -54.69 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.768 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 61.8 ttt-85 -44.94 -59.3 2.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.715 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.69 -61.55 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.473 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 117' ' ' ASN . 55.8 t80 -45.68 -42.97 12.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.376 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.46 ' C ' ' N ' ' A' ' 116' ' ' GLU . 1.5 mp -63.67 -58.57 6.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.502 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -46.86 -17.71 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.268 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.46 ' N ' ' C ' ' A' ' 114' ' ' LEU . 3.4 mt-10 -108.79 -30.18 8.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.099 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.633 ' O ' HG22 ' A' ' 120' ' ' VAL . 5.6 m120 -127.25 49.29 2.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.969 0.414 . . . . 0.0 110.78 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.406 ' C ' ' H ' ' A' ' 120' ' ' VAL . 0.1 OUTLIER -59.61 -1.0 0.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.777 179.884 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.475 ' H ' ' C ' ' A' ' 117' ' ' ASN . 7.9 p80 -76.31 13.35 0.95 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.945 0.402 . . . . 0.0 110.308 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 117' ' ' ASN . 15.4 m -131.89 133.51 60.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.689 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -91.51 100.71 13.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.192 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.474 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -86.74 112.6 21.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.64 -179.594 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.58 ' CZ ' HH21 ' A' ' 91' ' ' ARG . 17.8 mtm180 -112.31 120.36 41.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.167 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 12.6 mt -106.0 129.58 58.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.031 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -123.05 98.24 5.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.062 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.08 108.81 10.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.491 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.647 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -78.57 -38.79 39.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.455 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.488 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -138.63 147.53 43.02 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.678 179.878 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.444 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 0.9 OUTLIER -105.16 141.1 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.561 -179.869 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.444 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 4.4 m-85 -168.63 135.17 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.566 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.41 171.66 3.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.545 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -104.01 -16.97 15.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.588 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.45 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -139.05 162.65 51.18 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.48 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -70.52 17.93 0.23 Allowed 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.573 2.182 . . . . 0.0 112.103 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.45 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.3 mt -61.81 -34.06 75.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.628 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -52.26 -21.26 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.622 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -70.61 -53.83 14.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.522 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -67.21 -21.21 65.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.587 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.95 -50.46 49.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.508 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.617 ' CD2' HD21 ' A' ' 190' ' ' LEU . 1.6 mp -61.76 -48.23 81.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.62 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -63.19 -59.73 4.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.513 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -44.53 -31.39 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.583 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.1 tp -81.9 -39.18 24.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.569 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -51.63 -33.83 34.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.599 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -73.45 -16.05 61.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.601 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.7 -19.93 51.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.606 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 102.55 -22.5 37.22 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -54.24 164.29 0.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.492 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -101.69 130.12 47.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.524 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.15 110.88 17.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.54 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 34.8 t -149.74 162.06 41.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.54 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.536 ' N ' HD12 ' A' ' 152' ' ' ILE . 1.7 mp -80.01 137.03 22.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.487 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 1.1 tpt -43.53 133.18 4.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.562 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 60.4 p -104.3 151.91 22.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.56 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -45.42 -49.67 13.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.602 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -57.82 -49.99 74.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.483 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.22 -28.66 68.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.588 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.03 -38.89 86.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.531 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 17.1 tttm -65.96 -46.9 76.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.592 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' HIS . . . . . 0.59 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.39 -52.7 24.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.349 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.59 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 10.7 t -58.19 -23.57 56.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.592 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 162' ' ' TRP . . . . . 0.629 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 3.8 t-105 -71.45 -70.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.822 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 163' ' ' ASP . . . . . 0.629 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -62.71 -26.47 68.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.126 -179.524 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 91.6 m -70.82 -23.14 62.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.412 -179.489 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.489 ' O ' ' SD ' ' A' ' 13' ' ' MET . 52.1 m-85 -121.31 18.75 11.45 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.575 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.482 ' C ' ' H ' ' A' ' 168' ' ' HIS . 25.0 t -142.25 137.87 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.814 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 167' ' ' ASP . . . . . 0.481 ' C ' ' N ' ' A' ' 169' ' ' GLN . 2.4 p-10 -71.95 41.33 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.039 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.701 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.2 OUTLIER -50.93 -11.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.07 -179.839 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 169' ' ' GLN . . . . . 0.481 ' N ' ' C ' ' A' ' 167' ' ' ASP . 29.8 mm-40 44.72 14.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.958 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 170' ' ' GLY . . . . . 0.701 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 119.29 38.4 0.74 Allowed Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.626 -0.59 . . . . 0.0 111.626 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 171' ' ' CYS . . . . . 0.696 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.1 OUTLIER -120.45 109.47 36.59 Favored Pre-proline 0 CA--C 1.538 0.485 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 179.634 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -78.76 132.03 10.57 Favored 'Trans proline' 0 N--CA 1.488 1.155 0 C-N-CA 121.832 1.688 . . . . 0.0 112.143 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.461 ' O ' ' CD2' ' A' ' 173' ' ' PHE . 1.2 t80 -83.94 119.48 24.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.671 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.18 156.56 46.2 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.93 138.15 30.74 Favored 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 122.382 2.055 . . . . 0.0 112.215 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -87.21 -171.54 3.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.333 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.87 94.65 9.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.402 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 138.66 -19.39 3.16 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 2.9 tt -44.88 -39.3 5.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.881 0.372 . . . . 0.0 110.546 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 180' ' ' ASP . . . . . 0.445 ' CG ' ' N ' ' A' ' 181' ' ' GLU . 0.9 OUTLIER -79.03 -44.07 22.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.537 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 181' ' ' GLU . . . . . 0.445 ' N ' ' CG ' ' A' ' 180' ' ' ASP . 59.7 mt-10 -54.58 -56.53 18.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.55 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -61.55 -52.99 62.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.549 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 58.5 m -48.17 -45.61 33.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.56 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -62.72 -39.86 95.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.565 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -62.36 -58.69 6.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.495 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 38.7 mt -59.81 -53.83 53.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.536 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 64.8 m -50.67 -41.69 55.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.573 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -55.81 -55.27 29.84 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.88 -55.53 9.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.844 0.354 . . . . 0.0 110.575 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.617 HD21 ' CD2' ' A' ' 140' ' ' LEU . 0.1 OUTLIER -56.84 -48.9 76.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.372 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 2.0 mtm-85 -49.54 -26.34 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.547 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -83.84 -33.7 24.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.541 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 19.1 mt -70.6 -34.76 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.53 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 194' ' ' LEU . . . . . 0.491 HD13 HD12 ' A' ' 190' ' ' LEU . 1.8 mp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.55 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.435 ' C ' HD12 ' A' ' 12' ' ' LEU . 1.7 t60 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.87 0.367 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.436 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 7.6 mp -102.76 173.47 6.31 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.047 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 50.4 mtm -62.59 146.1 52.78 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.103 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 2.4 m-20 -65.66 141.71 97.93 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.599 -179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.408 ' O ' ' OG1' ' A' ' 19' ' ' THR . 85.0 Cg_exo -40.81 -55.46 2.0 Favored 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 122.079 1.853 . . . . 0.0 112.22 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -48.76 80.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.188 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.48 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 1.9 mm -48.89 -51.5 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.649 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.42 ' CZ ' ' CD2' ' A' ' 22' ' ' PHE . 41.7 t80 -59.91 -60.87 3.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.663 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -45.34 -56.19 5.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.603 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -52.45 -31.25 33.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.636 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 17' ' ' ILE . 58.2 m-80 -87.16 -10.76 51.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.625 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.42 ' CD2' ' CZ ' ' A' ' 18' ' ' PHE . 45.0 m-85 -133.21 28.62 4.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.475 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 19' ' ' THR . 26.8 t-20 -90.81 105.94 18.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.515 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -41.26 150.59 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.614 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.661 ' H ' ' NH2' ' A' ' 128' ' ' ARG . . . 73.18 72.83 0.93 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.444 HG23 ' O ' ' A' ' 23' ' ' ASN . 1.1 pt -137.55 175.29 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.601 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -162.25 9.47 0.1 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.5 ' O ' ' CZ2' ' A' ' 98' ' ' TRP . 0.1 OUTLIER -71.56 153.86 41.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.58 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -95.78 84.89 3.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.499 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -171.35 51.21 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.718 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.522 HG22 ' CG ' ' A' ' 57' ' ' ASN . 5.7 t -46.67 147.6 1.21 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.842 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -110.93 147.71 34.06 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.608 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.589 HD23 ' N ' ' A' ' 34' ' ' CYS . 3.5 tt -138.44 114.41 10.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.647 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.589 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -106.83 116.26 31.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.268 179.579 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.465 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 12.2 p90 -107.27 134.48 50.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.681 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.409 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 2.0 tm-20 -128.31 143.3 51.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.458 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.699 HG21 ' CE1' ' A' ' 51' ' ' HIS . 38.5 t -108.45 135.39 47.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.791 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -141.37 122.12 14.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.488 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -93.2 138.7 31.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.57 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.491 HD12 ' HB ' ' A' ' 89' ' ' ILE . 32.7 mt -86.43 149.02 25.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.543 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.71 96.96 1.8 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.515 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.513 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 0.9 OUTLIER 58.62 52.67 6.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.576 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.28 -6.38 4.31 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.437 ' H ' ' C ' ' A' ' 42' ' ' ASN . 0.6 OUTLIER -95.57 110.35 22.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.341 . . . . 0.0 110.595 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.8 p -80.08 116.06 19.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.541 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 84.1 t -100.96 114.38 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.6 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -78.85 141.42 37.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.465 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.59 142.69 31.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.743 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.466 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -96.11 -50.17 4.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.469 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -92.85 59.01 3.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.408 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.711 ' NE2' HD22 ' A' ' 82' ' ' LEU . 25.3 t-80 -168.37 31.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.427 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.466 ' NH2' ' O ' ' A' ' 49' ' ' ASP . 0.4 OUTLIER -132.42 170.72 14.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.505 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -174.45 -178.82 44.64 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -149.47 138.94 21.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.712 0.291 . . . . 0.0 110.655 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 mp -135.35 162.08 33.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.513 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -131.05 160.64 34.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.45 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.522 ' CG ' HG22 ' A' ' 31' ' ' THR . 4.7 p-10 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.624 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.744 0.307 . . . . 0.0 110.577 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.03 -29.04 55.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.424 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.492 ' OE2' ' SG ' ' A' ' 106' ' ' CYS . 34.4 mt-10 -68.31 -36.9 80.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.409 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 73' ' ' LEU . 10.8 mp -72.72 -59.42 2.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.479 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.49 -30.67 8.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.382 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -74.12 -45.83 46.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.392 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -20.15 65.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.319 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -76.95 -27.83 54.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.011 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.654 ' C ' HD12 ' A' ' 78' ' ' LEU . 4.1 pp -106.14 7.25 31.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.584 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -64.29 -41.35 59.67 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 179.851 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 28.1 Cg_exo -58.88 -17.88 39.22 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.192 1.928 . . . . 0.0 111.84 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.1 m -56.89 -8.9 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.577 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.711 HD22 ' NE2' ' A' ' 51' ' ' HIS . 20.7 mt -101.19 -43.58 5.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.436 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 67.56 47.63 1.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.716 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 mt -56.16 136.06 52.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.44 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -101.6 157.48 33.59 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.476 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -69.9 -1.09 8.0 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 122.388 2.058 . . . . 0.0 112.096 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.65 -75.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.603 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.404 ' N ' ' OE1' ' A' ' 88' ' ' GLN . 4.2 mp0 -111.64 -179.58 3.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.462 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.491 ' HB ' HD12 ' A' ' 40' ' ' LEU . 1.5 mt -89.23 157.52 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.601 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.451 ' HB2' HG22 ' A' ' 120' ' ' VAL . 29.3 m-85 -133.5 161.1 35.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.687 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.409 ' HE ' ' HB2' ' A' ' 121' ' ' ARG . 17.4 ttm180 -142.75 103.95 4.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.553 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.0 t -89.06 123.11 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.433 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.24 117.04 30.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.745 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.559 ' CD1' HD21 ' A' ' 122' ' ' LEU . 14.9 m0 -100.25 132.48 45.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.008 0.433 . . . . 0.0 110.081 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.581 ' CE2' ' SG ' ' A' ' 161' ' ' CYS . 58.4 m-85 -125.41 102.87 7.61 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.51 129.18 63.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.573 -178.376 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.64 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 1.4 p -83.79 -27.87 28.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.247 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.5 ' CZ2' ' O ' ' A' ' 28' ' ' ARG . 19.3 m95 -113.05 139.2 48.89 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.361 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.85 163.0 0.88 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.635 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.62 167.34 27.39 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.651 2.234 . . . . 0.0 112.234 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.549 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 17.9 p -107.13 -142.29 0.38 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.338 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.549 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -44.2 100.18 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.485 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.894 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 16.7 t -40.85 -25.45 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.508 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.451 ' N ' ' O ' ' A' ' 102' ' ' PHE . 24.7 t90 -86.04 -28.25 24.26 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.598 -179.606 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -81.47 -61.88 2.03 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' CYS . . . . . 0.492 ' SG ' ' OE2' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -69.74 -68.98 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 0.0 110.928 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.894 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -52.31 -53.4 44.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.692 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -42.28 -56.57 3.98 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -46.82 -48.9 20.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.863 0.363 . . . . 0.0 110.115 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.25 -52.88 54.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.432 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.501 ' NH2' ' OE1' ' A' ' 115' ' ' GLN . 65.8 ttt-85 -42.01 -58.9 1.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.471 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.15 -55.35 8.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.291 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.512 ' O ' ' N ' ' A' ' 117' ' ' ASN . 17.1 t80 -51.96 -47.02 65.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.459 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 117' ' ' ASN . 2.4 mt -59.33 -58.46 8.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.492 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.501 ' OE1' ' NH2' ' A' ' 111' ' ' ARG . 21.6 mt-30 -48.97 -20.45 0.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.194 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 114' ' ' LEU . 3.1 mt-10 -109.92 -9.04 14.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.655 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 113' ' ' PHE . 35.2 m120 -134.11 37.44 3.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.753 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.2 p -48.14 -19.33 0.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.43 ' CD2' HG23 ' A' ' 120' ' ' VAL . 0.5 OUTLIER -81.71 17.11 1.55 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.872 0.368 . . . . 0.0 110.657 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.451 HG22 ' HB2' ' A' ' 90' ' ' TYR . 28.4 t -131.32 124.45 55.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.396 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.409 ' HB2' ' HE ' ' A' ' 91' ' ' ARG . 4.7 mmp_? -91.65 120.06 32.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.557 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.559 HD21 ' CD1' ' A' ' 94' ' ' TRP . 0.9 OUTLIER -105.72 133.44 50.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.799 -179.876 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.419 ' C ' HD12 ' A' ' 124' ' ' ILE . 12.1 mtm180 -124.19 122.59 38.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.129 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.466 ' N ' HD12 ' A' ' 124' ' ' ILE . 1.8 mp -105.2 130.83 55.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.78 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -124.93 99.4 6.12 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.472 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -76.96 101.74 6.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.438 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.64 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -73.23 -38.01 66.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.479 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.661 ' NH2' ' H ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -141.76 138.82 32.57 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.906 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -104.22 121.23 55.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.535 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.401 ' CD1' ' CZ3' ' A' ' 98' ' ' TRP . 91.5 t80 -104.66 153.8 20.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.416 179.67 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -86.97 79.14 8.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.611 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -91.07 -61.06 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.535 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.463 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -159.01 160.22 29.12 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.383 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -69.97 19.51 0.19 Allowed 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.525 2.15 . . . . 0.0 112.047 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.463 ' H ' ' C ' ' A' ' 133' ' ' ASP . 2.3 mm? -91.95 -23.96 19.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.499 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -46.13 -32.17 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.541 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 50.3 tttt -66.13 -58.76 4.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.503 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -51.48 -28.8 14.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.43 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.5 -56.68 11.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.4 mt -51.12 -32.29 22.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.457 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -79.7 -43.23 23.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.611 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.496 ' SD ' ' O ' ' A' ' 103' ' ' SER . 0.5 OUTLIER -55.29 -52.13 64.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.63 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 4.8 mt -64.87 -47.65 77.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.549 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 14.7 ttp85 -48.77 -33.6 10.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.566 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -82.84 -23.26 33.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.581 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -76.58 -16.81 59.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.549 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 102.37 -8.61 55.34 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -69.8 156.41 39.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 110.456 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -96.44 135.58 38.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.506 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.22 116.68 29.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.623 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.6 m -153.13 162.03 41.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.558 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 10.0 mt -82.09 128.38 38.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.475 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.587 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 2.9 ttm -49.07 123.97 8.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 72.3 p -95.22 176.28 6.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.631 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -61.49 -48.39 81.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.654 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.1 -54.49 42.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.503 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -56.41 -36.61 69.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.496 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.587 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.4 OUTLIER -59.5 -44.72 93.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.563 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 34.7 tttm -58.89 -43.27 90.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.773 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' HIS . . . . . 0.599 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.25 -56.09 8.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.562 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.599 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 0.0 OUTLIER -58.85 -23.72 61.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.553 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 162' ' ' TRP . . . . . 0.635 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 4.4 t-105 -68.86 -70.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.945 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 163' ' ' ASP . . . . . 0.635 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -63.7 -29.12 70.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.267 -179.372 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 97.6 m -66.63 -25.25 66.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.07 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -121.26 18.96 11.49 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.071 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.525 ' C ' ' H ' ' A' ' 168' ' ' HIS . 71.3 t -135.08 146.29 30.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.806 0.336 . . . . 0.0 111.324 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 167' ' ' ASP . . . . . 0.431 ' O ' ' OD1' ' A' ' 167' ' ' ASP . 4.1 p30 -75.16 37.52 0.12 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.338 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.742 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -36.17 -57.14 0.73 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.162 -179.606 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 169' ' ' GLN . . . . . 0.631 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 89.0 mt-30 40.75 17.8 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.083 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 170' ' ' GLY . . . . . 0.742 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 142.85 -0.79 1.43 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 171' ' ' CYS . . . . . 0.621 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 1.2 m -115.01 87.06 14.57 Favored Pre-proline 0 CA--C 1.531 0.231 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 172' ' ' PRO . . . . . 0.418 ' HA ' ' HE1' ' A' ' 162' ' ' TRP . 59.1 Cg_endo -80.37 160.22 22.8 Favored 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 122.29 1.993 . . . . 0.0 112.797 -178.648 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -53.51 141.34 25.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.6 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -124.1 86.68 53.93 Favored Pre-proline 0 CA--C 1.535 0.391 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.422 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -51.4 131.4 36.34 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.238 1.958 . . . . 0.0 112.083 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 14.7 p90 -101.25 157.97 16.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.59 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.82 91.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.585 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 165.58 -33.97 0.24 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.38 -47.55 69.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.756 0.312 . . . . 0.0 110.349 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -53.33 -61.99 1.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.51 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -50.6 -50.18 54.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.557 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -53.27 -48.02 68.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.542 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 6.4 p -48.0 -47.78 33.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.448 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -61.84 -32.67 73.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.524 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -69.13 -59.4 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.582 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.17 -55.06 32.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 96.4 p -44.61 -51.89 8.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.506 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -53.36 -44.45 65.87 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.856 -0.897 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -49.96 -57.65 7.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.739 0.304 . . . . 0.0 110.598 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.444 ' C ' ' N ' ' A' ' 192' ' ' ALA . 1.0 OUTLIER -61.88 -56.57 17.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.611 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -45.98 -18.82 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.615 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 192' ' ' ALA . . . . . 0.444 ' N ' ' C ' ' A' ' 190' ' ' LEU . . . -93.18 -55.5 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.809 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 5.7 tt -59.08 -26.6 33.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.581 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 2.3 tp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.546 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.9 0.381 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.839 HD22 ' N ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -100.48 173.98 6.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.276 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -80.24 167.13 20.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.267 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -71.48 142.31 86.4 Favored Pre-proline 0 CA--C 1.538 0.485 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.813 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -40.78 -44.71 4.78 Favored 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 122.23 1.953 . . . . 0.0 112.383 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -69.34 -45.57 69.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.301 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.2 mm -48.83 -37.78 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.939 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -74.97 -61.03 2.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.884 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.38 -24.31 11.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.638 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.3 p -73.69 -50.69 19.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.547 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.468 ' OD1' ' CD1' ' A' ' 32' ' ' TYR . 0.7 OUTLIER -65.17 -42.95 93.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.523 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -96.2 35.11 1.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.61 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.42 ' O ' ' O ' ' A' ' 24' ' ' ASN . 52.2 t30 -72.44 0.67 9.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.624 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.654 HD22 ' NH1' ' A' ' 128' ' ' ARG . 3.1 m120 58.72 118.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.627 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.9 99.87 0.51 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.448 ' C ' HD12 ' A' ' 26' ' ' ILE . 1.2 pp -142.42 -174.95 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.673 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -161.27 43.55 0.4 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.66 153.56 51.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.728 0.299 . . . . 0.0 110.518 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.62 97.23 11.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.609 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.7 tptm -170.6 44.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.403 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.732 HG22 ' CD2' ' A' ' 98' ' ' TRP . 2.6 p -46.92 162.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.046 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.468 ' CD1' ' OD1' ' A' ' 21' ' ' ASN . 0.4 OUTLIER -125.14 143.34 50.98 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.661 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.585 HD23 ' N ' ' A' ' 34' ' ' CYS . 3.4 tt -135.58 114.66 12.25 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.502 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.585 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -106.95 120.02 40.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.322 179.695 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.466 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 42.1 p90 -108.69 138.23 45.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.949 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -132.05 129.23 39.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.18 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.738 HG11 ' CE1' ' A' ' 51' ' ' HIS . 18.2 t -96.74 130.11 45.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.953 0.406 . . . . 0.0 111.336 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.427 ' OE1' ' OG1' ' A' ' 93' ' ' THR . 2.3 mt-10 -130.52 125.1 33.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.011 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -95.66 138.4 33.38 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.645 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.47 135.5 57.45 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.326 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -148.9 98.72 2.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.533 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 55.36 42.38 30.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.488 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.87 0.13 67.98 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.4 m -109.54 127.26 54.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.811 0.339 . . . . 0.0 110.563 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.411 ' O ' ' OG ' ' A' ' 45' ' ' SER . 4.5 p -89.13 109.37 20.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.504 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 67.7 t -97.56 126.48 50.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.539 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -87.04 137.94 31.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.727 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 44.6 mtm -98.14 151.77 20.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.505 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -84.98 -50.34 7.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.704 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -89.09 66.96 7.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.399 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.738 ' CE1' HG11 ' A' ' 37' ' ' VAL . 3.2 t-80 -172.16 -6.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.437 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.416 ' H ' ' H ' ' A' ' 51' ' ' HIS . 27.6 ptt180 -106.87 170.95 7.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.679 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.466 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . 179.45 -162.5 29.26 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -156.09 161.09 40.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.728 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mt -141.48 178.51 7.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.466 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.94 139.23 43.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.479 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.4 t30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.654 -179.893 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.628 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.76 0.314 . . . . 0.0 110.49 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.467 ' HB1' ' HB2' ' A' ' 33' ' ' LEU . . . -41.73 -47.08 3.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.554 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.501 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 27.6 mp0 -58.16 -43.28 87.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.71 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 76' ' ' LEU . 8.5 mp -64.2 -59.87 3.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.963 0.411 . . . . 0.0 110.538 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -44.7 -28.47 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.458 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -80.74 -35.89 32.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.65 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' LEU . 1.1 mm? -59.5 -22.27 61.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.138 0.494 . . . . 0.0 109.731 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.45 -16.03 60.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.204 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.687 HD23 ' OG ' ' A' ' 81' ' ' SER . 1.4 mt -94.12 -4.49 49.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.426 -179.219 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.532 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -59.74 -43.42 95.16 Favored Pre-proline 0 C--N 1.326 -0.422 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.284 -179.156 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 39.7 Cg_exo -57.02 -22.65 47.99 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.124 1.883 . . . . 0.0 111.848 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.687 ' OG ' HD23 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -79.07 -8.93 59.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.551 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.453 HD12 ' C ' ' A' ' 81' ' ' SER . 7.4 mp -103.32 -40.26 6.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.372 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 61.96 52.57 3.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.956 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 52.2 mt -70.44 101.82 2.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.22 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.516 ' O ' ' CE1' ' A' ' 119' ' ' HIS . 0.1 OUTLIER -87.57 161.26 45.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.603 -179.726 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -72.24 -20.69 24.32 Favored 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.658 2.239 . . . . 0.0 111.955 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.94 -75.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.499 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -99.41 175.12 5.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.318 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.552 HG23 ' O ' ' A' ' 119' ' ' HIS . 1.1 mt -100.92 155.15 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.907 0.384 . . . . 0.0 110.549 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 89' ' ' ILE . 71.0 m-85 -149.0 130.7 15.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.827 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.15 113.34 26.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.222 179.312 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.554 ' CG1' HD22 ' A' ' 122' ' ' LEU . 1.4 p -95.0 129.88 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.139 0.495 . . . . 0.0 110.146 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.427 ' OG1' ' OE1' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -100.84 119.61 38.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.966 -179.296 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -99.95 131.48 45.89 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.589 ' CZ ' ' SG ' ' A' ' 161' ' ' CYS . 52.8 m-85 -124.47 102.91 7.88 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.079 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.74 134.19 52.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.748 -178.418 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.643 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 0.3 OUTLIER -85.59 -22.91 27.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.751 178.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.732 ' CD2' HG22 ' A' ' 31' ' ' THR . 20.3 m95 -113.22 148.41 35.54 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.515 ' HB2' HG23 ' A' ' 129' ' ' ILE . 0.3 OUTLIER -67.48 165.81 26.67 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.469 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' A' ' 99' ' ' SER . 75.6 Cg_exo -42.44 170.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.528 0 C-N-CA 122.476 2.117 . . . . 0.0 112.186 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -116.78 -48.43 2.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.116 179.761 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.585 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.3 OUTLIER -157.61 111.87 2.62 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 178.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.482 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 10.0 t -39.65 -38.73 0.65 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.229 -179.381 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -84.9 -21.71 29.58 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.323 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.38 -63.0 1.59 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 91.8 m -78.57 -69.09 0.58 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.702 0.287 . . . . 0.0 111.045 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -56.36 -30.36 62.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.721 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.96 -60.24 7.52 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -52.69 -38.26 60.3 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.113 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.8 t -67.6 -46.15 83.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.206 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -51.09 -58.53 5.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.276 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.67 -51.37 21.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.472 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.529 ' O ' ' N ' ' A' ' 117' ' ' ASN . 5.1 t80 -50.19 -61.1 2.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.653 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.2 mt -50.71 -58.36 6.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.556 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -46.73 -22.78 0.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.463 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -110.31 -12.2 14.46 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.697 ' O ' HG22 ' A' ' 120' ' ' VAL . 32.0 m120 -139.59 44.77 1.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.329 . . . . 0.0 111.072 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -4.28 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.992 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.552 ' O ' HG23 ' A' ' 89' ' ' ILE . 5.9 p80 -77.15 14.43 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 0.0 110.797 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' ' 117' ' ' ASN . 21.8 m -140.54 155.26 22.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.56 148.41 25.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.429 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.554 HD22 ' CG1' ' A' ' 92' ' ' VAL . 0.2 OUTLIER -125.37 112.29 16.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.42 -179.624 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.483 ' N ' HD13 ' A' ' 122' ' ' LEU . 8.2 mtt180 -116.21 118.52 33.02 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.465 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 25.4 mt -106.52 136.22 42.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.252 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -128.64 100.6 5.8 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.572 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -79.05 108.07 12.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.333 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.643 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -81.0 -47.21 13.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.654 ' NH1' HD22 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -130.69 153.39 49.02 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.854 -0.339 . . . . 0.0 110.668 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.515 HG23 ' HB2' ' A' ' 99' ' ' SER . 10.9 mt -120.44 109.09 24.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.53 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.427 ' O ' ' O ' ' A' ' 131' ' ' ASP . 32.9 m-85 -152.49 26.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.576 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 130' ' ' TYR . 11.5 t70 -51.58 -173.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.613 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -93.92 -65.8 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.656 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.467 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.2 OUTLIER -98.5 160.2 28.64 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.517 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -70.56 27.73 0.2 Allowed 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 122.569 2.179 . . . . 0.0 112.282 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.467 ' H ' ' C ' ' A' ' 133' ' ' ASP . 0.7 OUTLIER -67.39 -14.82 63.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.576 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.658 ' OH ' HD12 ' A' ' 193' ' ' ILE . 2.2 p90 -54.46 -26.69 32.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.555 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -69.2 -62.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.584 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -50.92 -38.64 51.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.512 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.91 -39.71 92.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.571 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.18 -53.21 60.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.522 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -65.66 -50.68 64.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.609 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.477 ' CB ' ' OG ' ' A' ' 103' ' ' SER . 1.0 OUTLIER -50.1 -61.83 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.609 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 146' ' ' ALA . 3.5 tp -50.19 -55.71 14.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.534 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -45.84 -33.12 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.645 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.52 -21.38 32.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.565 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -78.09 -19.75 53.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.541 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 87.42 72.07 1.29 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -146.46 173.0 12.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 110.581 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.27 124.19 47.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.548 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.682 HG13 ' O ' ' A' ' 150' ' ' VAL . 12.1 p -132.09 111.71 18.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.47 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 57.1 m -146.28 162.31 38.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.679 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 3.2 mm -84.31 129.93 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.491 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -41.22 133.26 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.647 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 21.0 p -106.46 174.91 5.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.552 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.439 ' HB2' HD23 ' A' ' 179' ' ' LEU . 2.6 t80 -65.34 -57.3 8.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.586 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.36 -38.25 18.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -69.32 -42.66 75.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -51.65 -40.4 59.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.762 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -67.93 -56.41 9.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.771 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' HIS . . . . . 0.419 ' O ' ' OD1' ' A' ' 163' ' ' ASP . 0.1 OUTLIER -53.84 -46.46 71.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.671 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.589 ' SG ' ' CZ ' ' A' ' 95' ' ' PHE . 1.3 m -68.7 -44.59 73.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.795 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 162' ' ' TRP . . . . . 0.642 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 3.1 t-105 -43.85 -69.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.801 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 163' ' ' ASP . . . . . 0.642 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.2 OUTLIER -60.72 -54.6 43.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.26 -179.333 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 93.7 m -46.29 -22.38 0.24 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.479 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -121.51 19.63 11.22 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.526 ' C ' ' H ' ' A' ' 168' ' ' HIS . 49.4 t -141.6 152.31 19.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.045 0.45 . . . . 0.0 111.621 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 167' ' ' ASP . . . . . 0.403 ' N ' ' CG1' ' A' ' 166' ' ' VAL . 8.7 m-20 -74.52 36.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.617 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.59 ' CD2' ' H ' ' A' ' 169' ' ' GLN . 9.1 p-80 -38.6 -46.94 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.297 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 169' ' ' GLN . . . . . 0.59 ' H ' ' CD2' ' A' ' 168' ' ' HIS . 46.7 mt-30 38.25 24.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.327 -0.852 . . . . 0.0 110.612 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 170' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 168' ' ' HIS . . . 129.68 2.9 5.19 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 171' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 168' ' ' HIS . 0.1 OUTLIER -102.69 105.08 42.67 Favored Pre-proline 0 CA--C 1.537 0.443 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -78.97 153.24 25.2 Favored 'Trans proline' 0 N--CA 1.487 1.133 0 C-N-CA 121.684 1.589 . . . . 0.0 112.106 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -51.54 147.06 6.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.526 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -113.17 88.87 13.11 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.794 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -78.67 131.07 10.1 Favored 'Trans proline' 0 C--N 1.315 -1.226 0 C-N-CA 122.088 1.859 . . . . 0.0 112.03 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 8.0 p90 -78.78 -179.51 6.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.385 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -96.26 86.23 4.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 160.65 38.26 0.02 OUTLIER Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 179' ' ' LEU . . . . . 0.439 HD23 ' HB2' ' A' ' 155' ' ' TYR . 2.9 mp -76.68 -50.12 14.45 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.905 -179.533 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 27.3 p-10 -59.7 -23.28 63.01 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.158 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -73.96 -61.99 1.66 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.16 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 182' ' ' HIS . . . . . 0.614 ' ND1' ' N ' ' A' ' 183' ' ' SER . 1.5 p80 -69.92 -42.29 73.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.919 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 183' ' ' SER . . . . . 0.614 ' N ' ' ND1' ' A' ' 182' ' ' HIS . 59.8 p -57.48 -52.31 65.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.561 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -59.2 -35.77 74.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.562 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -53.37 -56.8 13.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 18.0 mt -67.15 -52.49 40.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.568 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.17 -33.18 18.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.523 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -67.32 -53.8 23.54 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 189' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 0.1 OUTLIER -45.66 -52.21 11.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 110.584 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 192' ' ' ALA . 1.1 mp -61.72 -59.99 4.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.499 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 30.1 ttt85 -45.51 -16.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.639 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 192' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 190' ' ' LEU . . . -88.2 -43.43 11.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.759 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 193' ' ' ILE . . . . . 0.658 HD12 ' OH ' ' A' ' 136' ' ' TYR . 4.3 tt -75.14 -26.57 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.669 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.703 -179.772 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.916 0.388 . . . . 0.0 110.463 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.517 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 6.0 mp -94.71 173.03 7.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.022 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 31.2 mtm -64.09 137.24 57.88 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.45 147.12 77.67 Favored Pre-proline 0 C--N 1.327 -0.386 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.44 -179.517 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.43 ' O ' ' OG1' ' A' ' 19' ' ' THR . 71.7 Cg_exo -39.94 -44.85 3.75 Favored 'Trans proline' 0 N--CA 1.489 1.23 0 C-N-CA 122.244 1.963 . . . . 0.0 112.096 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -72.44 -50.14 28.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.098 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.9 mm -48.69 -40.73 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.592 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 28.5 t80 -66.6 -57.07 7.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.425 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -51.71 -59.21 4.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.496 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t -54.1 -26.96 30.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.48 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.523 ' OD1' ' CD1' ' A' ' 32' ' ' TYR . 8.4 t30 -86.43 -9.66 55.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.54 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.521 ' O ' ' NH2' ' A' ' 128' ' ' ARG . 19.1 m-85 -133.43 18.74 3.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.507 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 19' ' ' THR . 13.9 p-10 -66.3 119.25 11.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.504 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -58.8 157.1 10.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.57 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.4 92.93 0.02 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 pt -135.09 -170.23 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.753 0.311 . . . . 0.0 110.583 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.61 -23.2 0.02 OUTLIER Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -170.07 120.06 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.322 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.518 ' CG ' ' N ' ' A' ' 30' ' ' LYS . 16.7 t60 -157.61 -88.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.565 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.518 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 7.9 mtpt 179.81 121.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.44 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.5 p -58.0 120.92 9.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.777 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.523 ' CD1' ' OD1' ' A' ' 21' ' ' ASN . 1.0 OUTLIER -106.46 141.54 37.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.516 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 tt -136.26 123.16 21.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.69 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.18 110.35 20.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.056 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.625 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 11.0 p90 -101.39 142.59 32.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -129.17 160.72 32.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.892 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.646 HG21 ' CE1' ' A' ' 51' ' ' HIS . 48.5 t -132.36 127.26 56.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.373 . . . . 0.0 110.851 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -140.13 152.44 46.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.332 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.91 139.45 35.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.61 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.55 122.4 44.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.573 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.32 114.63 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.47 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.479 ' C ' ' H ' ' A' ' 44' ' ' THR . 0.5 OUTLIER 58.25 39.66 25.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.493 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.73 -24.97 1.18 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.479 ' H ' ' C ' ' A' ' 42' ' ' ASN . 57.5 m -71.62 120.25 16.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 110.63 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.74 119.84 37.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.577 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.5 t -100.04 99.17 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.571 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.8 tttm -72.22 137.59 46.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.575 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -96.08 149.61 21.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.634 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.02 -50.24 4.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.49 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -98.82 73.07 1.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.346 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.837 ' HE2' HD22 ' A' ' 82' ' ' LEU . 43.5 t-80 -172.1 -1.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.451 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.409 ' H ' ' H ' ' A' ' 51' ' ' HIS . 30.7 ptt180 -103.05 170.94 7.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.41 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -175.01 172.94 45.94 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -141.93 136.9 30.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.812 0.339 . . . . 0.0 110.616 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mp -137.12 177.83 7.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.568 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.503 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 1.3 p80 -138.61 166.0 25.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.326 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.625 179.927 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.81 0.338 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.89 -50.45 56.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.44 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -42.39 -46.28 4.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.652 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.94 -60.13 3.4 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.463 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -49.37 -24.77 2.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.08 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.625 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 2.2 t80 -84.42 -46.48 11.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.432 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -43.1 -36.92 1.81 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.432 -179.806 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.02 -16.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.101 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' A' ' 76' ' ' LEU . 2.4 mm? -66.97 -47.52 71.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.323 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.0 t -44.42 -58.73 4.7 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-O 119.316 -0.373 . . . . 0.0 111.936 -178.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -35.25 -39.78 0.25 Allowed 'Trans proline' 0 N--CA 1.489 1.232 0 C-N-CA 122.112 1.875 . . . . 0.0 112.502 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.7 t -76.34 -50.09 15.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.837 HD22 ' HE2' ' A' ' 51' ' ' HIS . 27.5 mt -65.33 -56.51 12.23 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.368 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 58.78 52.44 6.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.002 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.3 mt -50.37 145.73 6.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.289 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.57 160.14 27.2 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.605 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -70.41 -9.8 26.66 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.617 2.211 . . . . 0.0 112.024 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.61 -80.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.6 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -100.89 164.55 11.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.552 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -84.92 162.37 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.538 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.644 ' HB2' HG12 ' A' ' 120' ' ' VAL . 34.8 m-85 -139.64 167.26 22.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.493 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -138.55 110.6 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.524 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.435 ' HB ' HD22 ' A' ' 122' ' ' LEU . 3.0 t -95.12 123.58 47.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.234 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.64 114.13 28.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 -179.624 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 23.1 m0 -100.4 133.28 45.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.243 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.59 ' CD1' ' SG ' ' A' ' 161' ' ' CYS . 48.4 m-85 -129.17 103.38 6.93 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.076 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.26 146.9 15.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.914 -178.253 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.663 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 22.2 p -96.89 -28.78 14.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.714 179.002 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -111.74 143.75 42.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.381 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.72 159.6 67.55 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.438 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.5 150.54 46.17 Favored 'Trans proline' 0 N--CA 1.494 1.554 0 C-N-CA 122.597 2.198 . . . . 0.0 112.406 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.647 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 1.8 p -83.58 -150.38 0.1 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.647 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.2 OUTLIER -34.16 104.92 0.03 OUTLIER 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.167 0.508 . . . . 0.0 110.138 179.381 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.893 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 11.5 p -37.54 -23.89 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.194 -179.594 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.547 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.2 OUTLIER -80.51 -31.89 37.05 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.853 -179.014 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -71.25 -63.81 2.98 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.773 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.22 -69.39 0.58 Allowed 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.165 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.893 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -45.61 -43.11 12.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.795 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.88 -55.63 28.68 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -50.05 -42.23 49.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.807 0.337 . . . . 0.0 110.799 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 42.7 t -69.65 -52.78 28.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.801 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -41.66 -58.57 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.602 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.16 -52.99 59.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.58 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -46.14 -39.74 9.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.507 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.471 ' C ' ' N ' ' A' ' 116' ' ' GLU . 1.0 OUTLIER -72.15 -57.1 4.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.437 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -46.87 -15.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.624 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.471 ' N ' ' C ' ' A' ' 114' ' ' LEU . 0.3 OUTLIER -108.68 -45.73 3.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.963 -179.841 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.818 ' O ' HG22 ' A' ' 120' ' ' VAL . 6.4 m120 -115.02 49.28 1.06 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.74 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.6 t -60.5 -0.22 0.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.82 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.486 ' H ' ' C ' ' A' ' 117' ' ' ASN . 8.9 p80 -79.62 13.62 1.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.846 0.355 . . . . 0.0 110.527 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.818 HG22 ' O ' ' A' ' 117' ' ' ASN . 34.8 m -134.92 145.88 31.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.542 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -91.51 148.32 22.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.32 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.497 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -131.76 112.4 12.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.501 -179.794 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.497 ' N ' HD13 ' A' ' 122' ' ' LEU . 65.9 mtp180 -115.07 117.74 31.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.199 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 5.7 mt -105.77 127.71 60.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.044 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.491 ' CD2' ' CE1' ' A' ' 95' ' ' PHE . 75.2 m-85 -119.9 98.06 5.91 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.528 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -78.93 106.2 10.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.332 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.663 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -77.48 -40.84 41.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.556 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.521 ' NH2' ' O ' ' A' ' 22' ' ' PHE . 4.1 tpp180 -136.43 143.05 43.7 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.562 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.518 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 1.1 mt -102.95 118.95 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.609 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 13.3 m-85 -162.38 117.64 1.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 29.6 p30 -151.25 -163.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.437 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -92.28 -63.11 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.585 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.482 ' C ' ' H ' ' A' ' 135' ' ' LEU . 1.1 m-20 -108.5 157.74 35.75 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.318 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -69.87 29.32 0.18 Allowed 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.395 2.063 . . . . 0.0 112.152 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.482 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.9 mt -66.49 -14.68 62.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.778 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 136' ' ' TYR . 2.2 p90 -48.76 -30.05 5.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.6 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 14.2 ttpp -62.45 -58.3 8.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.486 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -49.36 -36.29 21.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.499 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.29 -51.76 67.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.549 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -50.76 -40.11 54.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.456 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -60.15 -60.47 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.66 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -53.25 -52.48 58.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.601 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.536 HD12 ' HB3' ' A' ' 148' ' ' ALA . 0.8 OUTLIER -42.23 -58.13 2.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.394 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.7 ttm105 -52.33 -36.53 53.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.539 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.51 -11.77 61.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.569 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -93.08 -23.88 18.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.531 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 87.5 31.79 15.23 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.536 ' HB3' HD12 ' A' ' 143' ' ' LEU . . . -101.04 175.92 5.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.542 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -104.22 128.14 51.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.547 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 3.2 m -132.2 114.59 24.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.518 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 7.3 m -152.22 162.02 41.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.619 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 2.3 mt -84.48 130.03 36.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.507 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.586 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 8.6 ttt -45.88 123.57 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.535 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 12.6 p -102.26 176.28 5.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.69 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.414 ' HB2' HD13 ' A' ' 179' ' ' LEU . 5.9 t80 -59.16 -58.18 9.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.586 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.89 -57.56 2.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.5 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 157' ' ' GLU . . . . . 0.448 ' OE2' ' CE1' ' A' ' 125' ' ' PHE . 22.2 mt-10 -51.23 -56.61 12.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.713 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.586 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 1.1 m-85 -41.55 -43.5 2.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.69 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 159' ' ' LYS . . . . . 0.431 ' O ' ' OD2' ' A' ' 163' ' ' ASP . 9.1 ttpp -59.98 -46.23 90.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.582 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 160' ' ' HIS . . . . . 0.618 ' CD2' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -68.88 -57.53 5.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.525 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.618 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 1.5 m -55.26 -23.96 25.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 162' ' ' TRP . . . . . 0.628 ' CE3' HG21 ' A' ' 166' ' ' VAL . 4.5 t-105 -70.41 -70.02 0.32 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.719 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 163' ' ' ASP . . . . . 0.621 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.5 OUTLIER -60.91 -14.41 22.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.262 -179.612 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 41.2 m -86.81 -28.3 23.02 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.368 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -119.56 16.83 12.89 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.304 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.628 HG21 ' CE3' ' A' ' 162' ' ' TRP . 96.8 t -130.89 142.67 43.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.807 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 167' ' ' ASP . . . . . 0.493 ' C ' ' H ' ' A' ' 169' ' ' GLN . 7.6 p-10 -79.16 36.98 0.3 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.128 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.629 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -49.92 -10.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.579 -179.722 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 169' ' ' GLN . . . . . 0.493 ' H ' ' C ' ' A' ' 167' ' ' ASP . 7.9 mm-40 52.73 7.97 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.444 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 170' ' ' GLY . . . . . 0.629 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 121.35 32.1 1.09 Allowed Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 171' ' ' CYS . . . . . 0.602 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.0 OUTLIER -111.31 148.87 39.66 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 116.703 0.251 . . . . 0.0 110.365 179.714 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -77.35 172.44 15.96 Favored 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 122.363 2.042 . . . . 0.0 112.551 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -84.87 150.52 24.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.431 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -108.91 96.01 19.04 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.689 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -80.41 148.98 18.85 Favored 'Trans proline' 0 N--CA 1.488 1.197 0 C-N-CA 122.101 1.867 . . . . 0.0 112.204 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 16.1 p90 -82.08 155.1 25.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.56 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.43 101.69 4.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.6 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 143.11 -8.76 2.2 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 179' ' ' LEU . . . . . 0.577 HD23 ' O ' ' A' ' 179' ' ' LEU . 1.1 tt -41.77 -45.15 3.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.778 0.323 . . . . 0.0 110.542 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.58 -60.75 2.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.563 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 181' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 184' ' ' GLN . 67.1 mt-10 -56.76 -61.41 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.62 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -42.34 -49.45 5.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 9.5 t -56.33 -37.62 70.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.575 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 184' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 181' ' ' GLU . 0.7 OUTLIER -64.03 -32.19 73.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.61 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -73.97 -57.71 3.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.619 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 186' ' ' LEU . . . . . 0.527 HD22 ' N ' ' A' ' 186' ' ' LEU . 4.0 mm? -61.46 -52.22 65.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.393 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 30.7 t -51.27 -46.91 62.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.313 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -56.81 -35.34 67.57 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -59.78 -53.13 61.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.809 0.338 . . . . 0.0 110.396 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.0 tp -72.09 -22.93 61.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.652 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -76.35 -23.76 54.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.516 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -82.1 -48.04 11.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.611 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 2.5 tt -68.55 -28.04 38.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.683 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.9 tp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.608 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.833 ' C ' HD23 ' A' ' 12' ' ' LEU . 1.7 m-70 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.516 0.674 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.868 HD12 ' O ' ' A' ' 166' ' ' VAL . 0.0 OUTLIER -113.34 175.06 5.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.708 -1.133 . . . . 0.0 109.835 -178.835 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.591 ' SD ' ' CE2' ' A' ' 54' ' ' PHE . 2.7 mpp? -60.48 167.52 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.37 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.44 153.15 50.57 Favored Pre-proline 0 CA--C 1.534 0.346 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.933 -179.101 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.422 ' O ' ' OG1' ' A' ' 19' ' ' THR . 72.1 Cg_exo -41.07 -56.01 1.87 Allowed 'Trans proline' 0 N--CA 1.49 1.322 0 C-N-CA 122.541 2.161 . . . . 0.0 112.507 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -59.97 -51.62 68.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.975 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.2 mm -48.77 -37.49 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.63 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -74.87 -60.83 2.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.785 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.2 OUTLIER -50.31 -60.0 3.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.596 -179.906 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.7 m -51.9 -43.05 63.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.579 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.554 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 0.8 OUTLIER -62.52 -39.91 95.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.685 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -100.08 23.58 9.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.615 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -56.77 101.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.553 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.86 150.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.546 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.63 99.54 0.01 OUTLIER Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.462 ' CD1' ' HE1' ' A' ' 98' ' ' TRP . 4.4 pt -136.55 -173.14 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.717 0.294 . . . . 0.0 110.62 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -151.27 -43.03 0.02 OUTLIER Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -172.05 127.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 110.437 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -163.55 -72.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.49 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.69 90.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.305 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.5 t -46.66 150.93 0.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.949 0.404 . . . . 0.0 111.303 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.534 ' HB2' HD22 ' A' ' 21' ' ' ASN . 0.2 OUTLIER -114.79 147.34 39.92 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.472 179.808 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.9 tp -135.4 107.57 7.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.161 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.37 115.71 31.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.348 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.518 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 34.9 p90 -106.36 137.04 45.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -123.92 129.42 50.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.22 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.747 HG11 ' CE1' ' A' ' 51' ' ' HIS . 11.5 t -100.07 126.01 53.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.965 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.11 154.21 45.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.279 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -121.45 142.0 50.46 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.528 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.55 ' N ' HD22 ' A' ' 40' ' ' LEU . 3.8 mm? -78.89 143.71 35.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.549 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.85 101.1 2.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.486 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.7 t30 57.62 30.13 18.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.403 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.69 0.48 81.66 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.54 121.52 42.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.78 0.324 . . . . 0.0 110.623 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.426 ' O ' ' OG ' ' A' ' 45' ' ' SER . 1.2 p -89.3 110.69 21.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.55 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.4 p -101.83 134.07 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.586 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -94.75 140.71 29.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.622 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.5 mtm -103.14 143.44 32.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.45 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -84.38 -50.62 7.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.758 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.82 66.07 9.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.011 0.434 . . . . 0.0 110.234 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.747 ' CE1' HG11 ' A' ' 37' ' ' VAL . 17.8 t-80 -173.15 -8.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.405 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.7 ptt85 -100.93 170.79 8.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.502 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.413 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . -176.65 -179.65 47.18 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.591 ' CE2' ' SD ' ' A' ' 13' ' ' MET . 3.8 p90 -146.74 141.93 27.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.751 0.31 . . . . 0.0 110.55 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 mt -128.87 174.95 9.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.607 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.469 ' N ' ' ND1' ' A' ' 56' ' ' HIS . 1.4 p-80 -137.15 157.8 45.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.432 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.773 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.845 0.355 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.0 -29.18 19.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.483 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -51.38 -50.83 58.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.646 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.38 -46.26 89.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.712 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.4 mmt-85 -59.09 -27.45 65.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.584 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.518 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 29.3 t80 -78.31 -47.47 17.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.532 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 tp -68.27 -19.69 64.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.722 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.13 -25.11 67.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.503 -179.357 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.666 ' C ' HD12 ' A' ' 78' ' ' LEU . 3.4 pp -114.25 3.41 15.11 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.618 0.247 . . . . 0.0 111.16 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.445 ' N ' HD12 ' A' ' 78' ' ' LEU . 1.4 t -56.57 -47.94 98.05 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.357 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 38.0 Cg_endo -72.82 -17.04 26.0 Favored 'Trans proline' 0 N--CA 1.489 1.24 0 C-N-CA 121.434 1.423 . . . . 0.0 111.884 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.9 -14.72 60.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.402 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.505 HD22 ' NE2' ' A' ' 51' ' ' HIS . 12.6 mt -78.83 -20.88 48.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.442 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.425 ' CB ' ' O ' ' A' ' 82' ' ' LEU . 3.7 tt0 77.55 36.04 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.0 mt -67.06 153.16 44.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.437 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.22 161.6 60.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.55 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -71.39 -12.93 30.24 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.533 2.155 . . . . 0.0 112.302 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.27 -79.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.518 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -94.0 158.99 15.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.305 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 90' ' ' TYR . 3.4 mm -89.75 156.89 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.559 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.486 ' N ' HG22 ' A' ' 89' ' ' ILE . 78.2 m-85 -139.07 152.05 47.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.772 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -117.97 102.82 9.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.205 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 41.0 t -94.86 119.34 42.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.521 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.3 m -106.13 121.44 44.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.636 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.453 ' CD2' HD11 ' A' ' 122' ' ' LEU . 32.8 m0 -100.32 132.69 45.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.03 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -119.03 102.69 8.93 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.426 HD11 HG23 ' A' ' 124' ' ' ILE . 0.0 OUTLIER -110.8 140.1 31.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.81 -178.053 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.619 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 9.0 p -90.88 -27.4 18.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.926 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.462 ' HE1' ' CD1' ' A' ' 26' ' ' ILE . 8.5 m95 -111.59 153.54 26.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.35 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.84 162.41 74.24 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.258 179.501 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -68.83 162.99 39.09 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.548 2.165 . . . . 0.0 112.258 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 6.4 p -106.31 -106.98 0.31 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.41 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.51 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -74.09 107.03 6.04 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.366 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 108' ' ' GLY . 13.9 m -43.88 -25.05 0.17 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.885 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -84.64 -22.92 29.73 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.358 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.55 -62.74 1.6 Allowed Glycine 0 CA--C 1.528 0.877 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.9 m -78.36 -69.8 0.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.648 0.261 . . . . 0.0 111.47 -179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.32 -30.82 69.75 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.52 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -64.33 -45.79 92.45 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 179.521 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -66.66 -22.29 66.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.864 0.364 . . . . 0.0 110.106 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.407 HG13 ' HG ' ' A' ' 122' ' ' LEU . 59.8 t -83.19 -63.33 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.025 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.41 ' HE ' ' HA2' ' A' ' 108' ' ' GLY . 0.2 OUTLIER -52.8 -29.96 30.52 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.39 -179.727 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -72.21 -58.73 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.981 0.42 . . . . 0.0 110.07 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.401 ' CZ ' HG11 ' A' ' 79' ' ' VAL . 16.5 t80 -45.92 -24.0 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.969 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.433 ' C ' ' N ' ' A' ' 116' ' ' GLU . 5.0 mp -76.77 -57.03 4.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.183 179.55 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -46.94 -19.99 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.068 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.433 ' N ' ' C ' ' A' ' 114' ' ' LEU . 2.8 mt-10 -104.72 -45.9 4.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.035 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.664 ' O ' HG22 ' A' ' 120' ' ' VAL . 7.9 m120 -120.76 55.13 1.04 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.761 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.87 1.16 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.805 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.48 ' CE1' ' CG1' ' A' ' 120' ' ' VAL . 8.2 p80 -80.3 11.14 3.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.613 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 117' ' ' ASN . 17.2 m -131.9 143.08 41.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.562 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -92.61 148.65 21.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.258 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.453 HD11 ' CD2' ' A' ' 94' ' ' TRP . 0.1 OUTLIER -132.53 112.53 12.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.637 -179.81 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 30.6 mtm180 -110.58 125.43 53.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.081 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.426 HG23 HD11 ' A' ' 96' ' ' ILE . 35.2 mm -105.29 117.43 50.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.147 -179.423 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.519 ' CD1' ' OE1' ' A' ' 157' ' ' GLU . 70.5 m-85 -116.78 98.02 6.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.122 179.294 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -83.18 107.48 15.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.492 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.619 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -76.29 -39.37 54.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.405 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -139.89 146.77 39.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.351 179.759 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.518 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 0.9 OUTLIER -104.03 130.44 54.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.907 0.384 . . . . 0.0 110.695 -179.723 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 4.6 m-85 -172.13 122.09 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.461 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -149.96 -173.93 4.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.561 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -106.53 -19.55 13.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.587 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.11 162.34 48.53 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.464 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.502 ' O ' ' N ' ' A' ' 136' ' ' TYR . 41.0 Cg_endo -70.02 -7.12 20.36 Favored 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.625 2.217 . . . . 0.0 112.204 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.2 mt -42.97 -19.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.647 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.525 ' CD1' ' N ' ' A' ' 137' ' ' LYS . 0.0 OUTLIER -54.16 -38.97 66.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.615 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.525 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 30.9 tttp -58.85 -57.73 11.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.436 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -48.34 -32.63 7.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.366 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 136' ' ' TYR . . . -62.52 -52.09 64.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.391 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.5 mp -51.77 -36.7 48.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.403 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.491 ' OE1' ' NH1' ' A' ' 144' ' ' ARG . 49.1 mm-40 -78.59 -36.14 44.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.535 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.482 ' SD ' ' O ' ' A' ' 103' ' ' SER . 0.7 OUTLIER -70.68 -22.69 62.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.573 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 9.2 mt -81.3 -60.81 2.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.767 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.491 ' NH1' ' OE1' ' A' ' 141' ' ' GLN . 0.7 OUTLIER -56.06 -28.06 55.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.693 -179.879 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.78 -37.18 81.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.612 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.76 -19.43 52.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 104.04 13.12 27.96 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -78.49 155.15 29.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.759 0.314 . . . . 0.0 110.611 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -87.45 131.08 34.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.538 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 21.8 t -131.39 116.61 32.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.605 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -153.38 159.75 42.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.57 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 152' ' ' ILE . 1.9 tp -90.38 132.57 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.475 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.542 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 6.4 ttt -49.1 121.24 4.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.52 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 81.3 p -99.98 172.65 7.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -58.21 -43.1 87.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.639 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -47.23 81.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.481 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 157' ' ' GLU . . . . . 0.519 ' OE1' ' CD1' ' A' ' 125' ' ' PHE . 35.8 mt-10 -63.15 -31.19 72.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.727 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.542 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 1.4 m-85 -65.58 -47.32 76.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.543 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -55.59 -49.77 71.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.575 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 160' ' ' HIS . . . . . 0.593 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -68.45 -57.39 5.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.611 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.593 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 12.3 t -53.76 -23.69 12.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 162' ' ' TRP . . . . . 0.622 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.2 t-105 -72.9 -69.16 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.042 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 163' ' ' ASP . . . . . 0.622 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -63.68 -14.28 50.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 -179.466 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 96.9 m -85.68 -24.11 27.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.311 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -121.05 10.83 10.84 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.264 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.868 ' O ' HD12 ' A' ' 12' ' ' LEU . 89.9 t -129.32 132.61 66.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.98 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -69.63 37.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.946 0.403 . . . . 0.0 110.42 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.549 ' H ' ' C ' ' A' ' 166' ' ' VAL . 5.7 p-80 -44.24 -45.63 8.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.109 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 169' ' ' GLN . . . . . 0.481 ' N ' ' CG ' ' A' ' 168' ' ' HIS . 97.1 mt-30 40.51 31.7 0.12 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 132.71 14.78 1.46 Allowed Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 171' ' ' CYS . . . . . 0.457 ' H ' ' HB2' ' A' ' 168' ' ' HIS . 4.6 m -123.78 80.9 55.69 Favored Pre-proline 0 CA--C 1.53 0.175 0 CA-C-O 120.739 0.304 . . . . 0.0 110.46 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -51.32 162.63 1.27 Allowed 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.551 2.167 . . . . 0.0 112.25 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -57.4 150.33 18.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.597 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -113.62 85.08 8.76 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.647 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -78.27 131.22 10.59 Favored 'Trans proline' 0 N--CA 1.488 1.202 0 C-N-CA 122.084 1.856 . . . . 0.0 112.091 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 176' ' ' TRP . . . . . 0.545 ' NE1' ' CD1' ' A' ' 179' ' ' LEU . 15.1 p90 -98.64 159.0 15.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.529 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.68 109.5 2.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.546 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 145.03 -18.18 1.95 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 179' ' ' LEU . . . . . 0.545 ' CD1' ' NE1' ' A' ' 176' ' ' TRP . 1.8 mp -52.27 -38.12 57.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.783 0.325 . . . . 0.0 110.535 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.09 -46.65 80.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.634 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -64.65 -45.95 84.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.592 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -61.09 -61.04 2.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.608 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 60.0 p -44.81 -37.56 3.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.652 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -61.23 -59.51 5.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.549 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -45.82 -53.11 10.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.549 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.01 -58.89 6.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.516 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 1.6 m -44.57 -44.02 8.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.58 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -55.68 -49.81 63.79 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -50.52 -49.92 54.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.754 0.311 . . . . 0.0 110.541 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.23 -46.66 89.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.583 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 2.6 ttm105 -61.12 -33.01 72.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.66 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -66.84 -37.18 83.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.596 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 193' ' ' ILE . . . . . 0.446 HD11 ' OH ' ' A' ' 136' ' ' TYR . 3.5 mm -66.57 -61.32 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.596 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 8.0 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.635 -179.941 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.509 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 12.5 t-160 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.809 0.338 . . . . 0.0 110.579 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.842 HD22 ' N ' ' A' ' 12' ' ' LEU . 1.0 OUTLIER -108.76 173.47 6.3 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.136 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -73.92 164.48 26.58 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -76.56 143.96 72.94 Favored Pre-proline 0 CA--C 1.534 0.365 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.418 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -39.96 -55.51 1.72 Allowed 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.205 1.937 . . . . 0.0 112.237 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -49.42 77.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.041 -179.629 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 mm -48.84 -56.49 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.659 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.408 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 32.3 t80 -49.59 -60.13 3.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.706 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.52 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -57.06 -27.09 61.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.795 -179.83 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.58 -61.49 2.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.597 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.614 ' ND2' ' CD2' ' A' ' 22' ' ' PHE . 3.3 p-10 -70.75 -23.49 62.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.61 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.614 ' CD2' ' ND2' ' A' ' 21' ' ' ASN . 18.3 m-85 -100.44 13.19 35.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.541 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 19' ' ' THR . 44.7 t-20 -61.49 101.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.626 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.524 HD21 ' HE1' ' A' ' 176' ' ' TRP . 12.2 t-20 -43.25 115.47 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.603 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.63 52.75 0.79 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.426 ' C ' HD12 ' A' ' 26' ' ' ILE . 1.1 pp -97.35 -175.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.707 0.289 . . . . 0.0 110.496 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.454 ' H ' ' NE ' ' A' ' 28' ' ' ARG . . . 167.43 53.76 0.03 OUTLIER Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.735 ' H ' ' HE ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -158.33 140.41 14.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.859 0.362 . . . . 0.0 110.644 179.758 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -49.93 98.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.761 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -178.61 22.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.077 0.465 . . . . 0.0 110.406 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.668 HG22 ' CD2' ' A' ' 98' ' ' TRP . 1.0 OUTLIER -46.63 162.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.784 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -125.93 149.3 48.84 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.686 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.716 HD13 ' C ' ' A' ' 33' ' ' LEU . 2.6 tm? -140.34 122.97 16.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.122 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.35 121.08 40.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.828 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.547 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 17.5 p90 -112.92 134.52 54.39 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.038 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -122.15 158.14 30.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.093 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.676 HG21 ' CE1' ' A' ' 51' ' ' HIS . 54.9 t -128.7 121.41 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.652 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.461 ' OE2' ' N ' ' A' ' 38' ' ' GLU . 1.5 mp0 -131.34 127.93 38.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.729 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.36 132.32 35.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.404 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 mt -98.52 119.94 38.09 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.548 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.63 110.48 9.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.457 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 0.8 OUTLIER 61.23 37.51 17.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.468 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.6 -1.07 68.02 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.15 102.3 14.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 110.523 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.429 ' O ' ' OG ' ' A' ' 45' ' ' SER . 11.9 p -83.13 103.37 12.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.557 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.1 m -96.68 119.18 44.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.516 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -76.83 138.13 39.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.488 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.9 mmt -79.46 158.65 27.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.667 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -93.55 -50.27 5.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.564 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -117.17 78.23 1.2 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.487 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.676 ' CE1' HG21 ' A' ' 37' ' ' VAL . 52.9 t-80 -169.93 30.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.687 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.512 ' C ' HH11 ' A' ' 52' ' ' ARG . 0.0 OUTLIER -131.57 170.77 14.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.318 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -169.32 -178.56 40.68 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 20.1 p90 -156.39 140.41 16.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.69 0.281 . . . . 0.0 110.402 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 mp -135.52 178.17 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.565 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.428 ' O ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -127.15 156.18 42.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.467 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.44 ' N ' ' HB2' ' A' ' 71' ' ' ALA . 1.1 t30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.415 ' CE1' ' OE2' ' A' ' 72' ' ' GLU . 2.1 t-80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.74 0.305 . . . . 0.0 110.645 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.44 ' HB2' ' N ' ' A' ' 57' ' ' ASN . . . -55.22 -34.56 64.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.234 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.415 ' OE2' ' CE1' ' A' ' 70' ' ' HIS . 17.6 mt-10 -60.04 -49.09 79.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.479 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.403 HD11 ' HG3' ' A' ' 109' ' ' GLU . 5.9 mp -49.59 -50.43 42.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.591 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -53.25 -43.56 67.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.512 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.547 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 10.3 t80 -65.49 -49.53 68.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.624 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.2 tp -64.05 -19.99 65.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.767 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.95 -32.47 59.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.025 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.654 ' C ' HD12 ' A' ' 78' ' ' LEU . 3.9 pp -101.44 8.04 42.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.759 0.314 . . . . 0.0 110.811 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.575 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -63.32 -41.64 69.59 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.008 -179.845 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 39.6 Cg_exo -57.66 -17.44 28.77 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.087 1.858 . . . . 0.0 111.932 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.42 -9.08 58.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.619 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.9 mt -89.75 -2.86 58.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.54 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 41.5 45.02 2.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.725 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.3 mt -41.46 155.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.628 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 87' ' ' ALA . 2.4 m-20 -117.17 84.96 17.91 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.457 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -51.3 -9.38 0.29 Allowed 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.464 2.11 . . . . 0.0 112.189 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.415 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -49.21 -35.46 17.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.375 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -125.04 -167.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.217 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.681 ' H ' HD12 ' A' ' 89' ' ' ILE . 0.2 OUTLIER -104.73 155.1 6.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.167 0.508 . . . . 0.0 110.5 179.779 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -140.47 179.32 6.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.79 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -143.98 109.65 5.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.498 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -92.44 106.07 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.011 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.36 115.69 26.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.655 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.449 ' CH2' HG22 ' A' ' 110' ' ' VAL . 13.7 m0 -100.19 132.19 45.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.21 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -124.91 102.65 7.64 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -108.05 131.25 58.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.651 -178.33 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.642 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 7.0 p -81.87 -26.04 34.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.767 178.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.668 ' CD2' HG22 ' A' ' 31' ' ' THR . 11.4 m95 -111.13 153.51 25.62 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.062 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.09 129.87 77.04 Favored Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.323 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -42.35 153.84 0.13 Allowed 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.899 1.733 . . . . 0.0 112.426 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.646 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 2.7 p -96.66 -147.89 0.3 Allowed 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.555 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.646 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.2 OUTLIER -33.38 106.01 0.04 OUTLIER 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.263 0.554 . . . . 0.0 110.215 179.545 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.899 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 47.9 m -37.48 -23.86 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.237 -179.592 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.545 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.1 OUTLIER -82.64 -30.94 29.04 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -178.826 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -71.9 -63.77 2.9 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 120.532 -0.842 . . . . 0.0 111.786 -179.316 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.31 -69.25 0.59 Allowed 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.751 -0.379 . . . . 0.0 111.071 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.899 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -45.88 -41.57 11.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.816 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.19 -60.01 9.05 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.403 ' HG3' HD11 ' A' ' 73' ' ' LEU . 36.4 mm-40 -50.91 -39.56 54.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.943 0.402 . . . . 0.0 110.25 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.449 HG22 ' CH2' ' A' ' 94' ' ' TRP . 38.7 t -66.71 -48.19 80.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.36 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 55.1 ttt85 -49.71 -52.63 29.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.359 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.08 -57.84 7.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.486 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -53.17 -34.82 58.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.63 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -69.83 -58.59 3.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.457 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -54.22 -14.18 1.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.598 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -100.25 -50.29 4.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.644 ' O ' HG22 ' A' ' 120' ' ' VAL . 85.7 m-20 -111.51 43.47 1.51 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.467 ' C ' ' H ' ' A' ' 120' ' ' VAL . 0.0 OUTLIER -49.86 -10.45 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.744 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.529 ' ND1' ' O ' ' A' ' 119' ' ' HIS . 12.0 p80 -76.11 19.66 0.22 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.902 0.382 . . . . 0.0 110.381 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.644 HG22 ' O ' ' A' ' 117' ' ' ASN . 4.9 m -135.75 144.72 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.464 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -91.59 123.32 34.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.447 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.523 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -102.93 115.04 29.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.571 -179.649 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.523 ' N ' HD13 ' A' ' 122' ' ' LEU . 12.1 mtp180 -117.79 118.36 31.84 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.293 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.64 HD12 HD21 ' A' ' 143' ' ' LEU . 18.6 mt -106.2 131.19 56.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.002 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.522 ' CE1' ' OE2' ' A' ' 157' ' ' GLU . 81.5 m-85 -127.03 104.78 8.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.611 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -84.17 107.72 16.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.372 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.642 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -77.56 -44.75 27.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.464 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.481 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -132.36 150.09 52.22 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.505 179.79 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.522 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 5.6 mt -112.29 118.73 58.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.694 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.522 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 8.7 m-85 -155.02 117.23 4.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.632 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.427 ' OD2' ' O ' ' A' ' 130' ' ' TYR . 0.3 OUTLIER -178.82 154.83 0.75 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.376 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -97.63 10.18 40.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.568 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.481 ' C ' ' H ' ' A' ' 135' ' ' LEU . 30.6 m-20 -122.79 80.04 49.18 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.552 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 136' ' ' TYR . 51.8 Cg_exo -49.3 -6.66 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.562 2.175 . . . . 0.0 112.433 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.481 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.9 mt -47.76 -13.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.468 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.472 ' N ' ' O ' ' A' ' 134' ' ' PRO . 0.1 OUTLIER -42.37 -26.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.613 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 135' ' ' LEU . 8.9 tttt -62.05 -62.21 1.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.469 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -53.49 -27.73 26.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.32 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.782 ' HB2' ' OG ' ' A' ' 103' ' ' SER . . . -69.66 -42.79 73.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.419 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.975 HD11 HD21 ' A' ' 190' ' ' LEU . 0.9 OUTLIER -58.82 -37.09 75.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.316 179.843 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -80.03 -56.69 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.557 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.9 ttp -54.36 -29.59 48.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.664 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.64 HD21 HD12 ' A' ' 124' ' ' ILE . 53.6 tp -81.9 -42.19 19.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.337 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.4 -30.74 41.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.5 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -76.64 2.72 13.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.572 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -99.57 -22.39 15.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 104.83 -1.18 41.71 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -83.1 134.08 35.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.71 0.291 . . . . 0.0 110.627 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -83.98 140.76 31.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.591 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 59.0 t -131.62 112.71 21.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.558 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.4 t -146.11 162.08 38.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.631 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.656 ' CD1' HD12 ' A' ' 190' ' ' LEU . 1.6 mp -79.78 133.81 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.498 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.583 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 6.4 ttm -50.36 102.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.52 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 26.2 p -73.72 160.68 31.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.538 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.497 ' CD1' ' O ' ' A' ' 155' ' ' TYR . 1.4 t80 -51.33 -36.93 45.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.578 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.22 -56.21 16.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.503 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 157' ' ' GLU . . . . . 0.522 ' OE2' ' CE1' ' A' ' 125' ' ' PHE . 2.1 mm-40 -57.15 -26.59 60.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.689 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.583 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 0.5 OUTLIER -64.58 -54.16 36.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.504 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -54.93 -42.62 72.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.687 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 160' ' ' HIS . . . . . 0.579 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -66.7 -56.61 9.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.687 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.579 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 3.1 t -57.32 -23.72 50.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.64 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 162' ' ' TRP . . . . . 0.619 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.1 t-105 -73.26 -69.23 0.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.832 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 163' ' ' ASP . . . . . 0.619 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 2.8 t70 -63.04 -14.24 45.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.419 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 60.6 m -84.86 -26.72 27.2 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.167 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -121.74 18.84 11.1 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.706 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.531 ' C ' ' H ' ' A' ' 168' ' ' HIS . 73.0 t -133.77 154.1 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 121.168 0.509 . . . . 0.0 111.549 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 167' ' ' ASP . . . . . 0.457 ' N ' HG12 ' A' ' 166' ' ' VAL . 0.4 OUTLIER -75.25 30.97 0.1 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.727 179.594 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.712 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -38.82 -53.71 1.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.13 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 169' ' ' GLN . . . . . 0.615 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 4.5 mm-40 42.53 14.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.668 179.073 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 170' ' ' GLY . . . . . 0.712 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 141.7 8.4 0.69 Allowed Glycine 0 CA--C 1.529 0.944 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.772 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 171' ' ' CYS . . . . . 0.622 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 1.7 m -117.5 84.29 18.47 Favored Pre-proline 0 CA--C 1.532 0.256 0 CA-C-N 116.713 0.256 . . . . 0.0 110.321 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -52.0 165.57 0.83 Allowed 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.486 2.124 . . . . 0.0 112.377 -179.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -65.12 141.49 58.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.309 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -115.57 85.1 13.17 Favored Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.966 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -50.11 154.88 5.02 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.189 1.926 . . . . 0.0 111.924 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 176' ' ' TRP . . . . . 0.524 ' HE1' HD21 ' A' ' 24' ' ' ASN . 1.0 OUTLIER -102.07 131.51 48.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.637 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -43.64 96.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.501 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 176' ' ' TRP . . . 140.68 -18.58 2.79 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -42.31 -50.09 5.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.757 0.313 . . . . 0.0 110.528 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 180' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 180' ' ' ASP . 3.1 m-20 -47.93 -52.24 20.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.534 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.35 -57.9 10.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.525 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -47.29 -38.92 13.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.408 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 183' ' ' SER . . . . . 0.428 ' O ' ' OG ' ' A' ' 187' ' ' SER . 0.4 OUTLIER -61.92 -43.93 97.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.53 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -61.22 -35.2 76.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.616 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -60.65 -65.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.587 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 27.2 mt -64.35 -59.65 4.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.594 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 187' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 183' ' ' SER . 55.9 p -45.85 -40.51 9.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.375 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -67.04 -35.07 88.63 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -48.74 77.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.749 0.309 . . . . 0.0 110.414 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.975 HD21 HD11 ' A' ' 140' ' ' LEU . 0.5 OUTLIER -65.31 -46.28 80.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.546 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -60.56 -16.3 36.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.545 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -96.36 -52.91 3.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.6 tp -54.72 -27.49 18.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.699 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.62 179.961 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.766 0.317 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.842 HD22 ' N ' ' A' ' 12' ' ' LEU . 1.0 OUTLIER -107.4 173.33 6.37 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.135 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 64.6 mtm -74.9 162.35 28.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.855 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -75.22 142.93 76.03 Favored Pre-proline 0 CA--C 1.536 0.422 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.391 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.431 ' O ' ' OG1' ' A' ' 19' ' ' THR . 71.1 Cg_exo -40.69 -55.46 1.97 Allowed 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 122.169 1.913 . . . . 0.0 112.205 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -59.98 -51.85 67.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.123 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.571 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 1.8 mm -48.66 -38.47 9.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.654 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -73.48 -60.9 2.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.628 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -46.22 -44.77 16.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.52 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -61.4 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.563 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.571 ' ND2' ' O ' ' A' ' 17' ' ' ILE . 57.6 m-80 -73.99 -9.61 58.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.598 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -132.6 27.56 4.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.573 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 19' ' ' THR . 0.8 OUTLIER -86.56 97.01 10.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.493 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 25' ' ' GLY . 23.7 m-20 46.73 -118.0 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.575 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 24' ' ' ASN . . . -57.48 -154.5 0.01 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.453 ' C ' HD12 ' A' ' 26' ' ' ILE . 1.2 pp -140.61 -174.91 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.746 0.308 . . . . 0.0 110.595 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -105.71 -117.06 4.26 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.517 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 1.3 tpm_? -154.45 137.46 15.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.747 0.308 . . . . 0.0 110.545 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 28' ' ' ARG . 56.7 p-80 40.7 59.29 2.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.597 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -156.26 21.21 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.485 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.836 HG22 ' CD2' ' A' ' 98' ' ' TRP . 7.2 p -46.79 138.02 6.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.962 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.464 ' CE1' ' OD1' ' A' ' 21' ' ' ASN . 1.4 m-85 -110.2 145.85 36.57 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.656 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.655 ' C ' HD23 ' A' ' 33' ' ' LEU . 6.2 tt -139.85 120.06 13.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.604 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -111.12 107.24 16.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.402 179.708 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.429 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 30.4 p90 -97.18 135.13 39.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.779 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.697 ' OE1' HG21 ' A' ' 164' ' ' THR . 1.9 tt0 -122.99 146.42 47.64 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.382 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.703 HG21 ' ND1' ' A' ' 51' ' ' HIS . 34.6 t -121.78 129.72 75.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.761 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -143.81 137.1 27.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.461 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.1 ptt85 -89.71 140.64 29.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.602 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.35 126.44 52.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.459 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.62 105.22 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.623 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.479 ' C ' ' H ' ' A' ' 44' ' ' THR . 26.2 t-20 54.39 51.65 13.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.555 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.07 -18.97 1.35 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.479 ' H ' ' C ' ' A' ' 42' ' ' ASN . 1.7 m -75.08 109.05 8.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.803 0.335 . . . . 0.0 110.573 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.5 m -99.3 110.69 23.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.602 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.5 t -110.19 110.67 33.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.521 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 148.91 39.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.411 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 28.0 mtm -104.03 141.28 36.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.499 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -81.25 -50.36 9.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.662 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.68 66.99 8.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.325 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.703 ' ND1' HG21 ' A' ' 37' ' ' VAL . 7.8 t-80 -170.46 -2.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.588 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.426 ' H ' ' H ' ' A' ' 51' ' ' HIS . 35.3 mtm180 -100.67 156.44 17.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.644 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.429 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . -171.53 175.03 45.13 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 14.8 p90 -147.29 141.98 26.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.662 0.267 . . . . 0.0 110.591 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 mt -135.62 175.28 9.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.581 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.56 ' C ' ' HB2' ' A' ' 71' ' ' ALA . 1.6 p80 -137.76 152.59 49.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.462 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.524 ' N ' ' HB2' ' A' ' 71' ' ' ALA . 27.4 p-10 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.719 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.485 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.868 0.366 . . . . 0.0 110.654 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.56 ' HB2' ' C ' ' A' ' 56' ' ' HIS . . . -75.62 -20.92 58.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.679 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -42.46 -49.55 5.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.1 tp -76.24 -39.55 54.21 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -51.31 -30.2 17.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.495 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -84.19 -47.19 11.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.602 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 76' ' ' LEU . 24.1 tp -63.47 -20.26 65.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.476 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -73.17 -34.36 65.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.654 ' C ' HD12 ' A' ' 78' ' ' LEU . 3.8 pp -100.13 8.04 44.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.817 0.341 . . . . 0.0 110.877 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.587 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -63.59 -41.38 65.63 Favored Pre-proline 0 CA--C 1.532 0.286 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.875 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 23.1 Cg_exo -60.99 -17.61 52.68 Favored 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 122.239 1.959 . . . . 0.0 112.092 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.9 -12.07 61.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.803 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.8 mt -87.37 5.9 36.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.675 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 41.92 45.73 3.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.515 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.2 mt -40.01 156.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.669 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 0.6 OUTLIER -115.65 85.05 13.3 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.58 -179.922 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -48.78 -13.18 0.25 Allowed 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.297 1.998 . . . . 0.0 112.233 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -42.36 -74.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.443 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -90.64 -170.51 2.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.423 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -91.22 158.95 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.454 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -137.17 173.84 11.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.631 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -149.55 110.34 4.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.703 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.8 t -97.23 113.99 33.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.31 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -98.13 118.98 35.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -101.45 131.99 47.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.533 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -126.27 103.05 7.46 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.77 150.0 15.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.971 -177.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.657 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 1.0 OUTLIER -97.01 -21.23 17.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.702 178.718 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.836 ' CD2' HG22 ' A' ' 31' ' ' THR . 18.8 m95 -111.98 153.3 27.0 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.405 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -78.86 160.52 71.46 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.53 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' A' ' 99' ' ' SER . 59.4 Cg_exo -42.16 171.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.497 2.131 . . . . 0.0 112.289 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.44 -75.1 0.5 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.218 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -109.48 98.42 7.81 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.242 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.516 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 12.6 t -44.72 -28.48 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.945 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -85.28 -21.79 28.85 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.531 -179.487 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -84.82 -62.35 1.69 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -78.85 -66.85 0.81 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.728 0.299 . . . . 0.0 111.065 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -60.49 -33.38 72.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.03 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -66.65 -58.17 8.87 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -57.83 -35.47 70.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.885 0.374 . . . . 0.0 110.357 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.9 t -74.73 -34.0 32.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.428 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 67.7 ttt-85 -60.86 -59.5 5.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.081 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.78 -42.22 75.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.131 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -54.13 -39.83 66.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.131 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.422 ' C ' ' N ' ' A' ' 116' ' ' GLU . 1.4 mp -76.09 -53.9 7.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.336 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -46.64 -20.77 0.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.308 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 114' ' ' LEU . 50.8 mt-10 -110.44 -18.88 13.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.088 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.504 ' O ' HG12 ' A' ' 120' ' ' VAL . 3.2 m120 -134.41 46.97 2.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.793 0.33 . . . . 0.0 111.059 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.9 t -59.32 -1.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.75 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.527 ' ND1' ' O ' ' A' ' 119' ' ' HIS . 2.4 p80 -76.33 8.66 3.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.504 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.504 HG12 ' O ' ' A' ' 117' ' ' ASN . 8.1 p -131.25 142.14 44.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.653 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.57 136.31 33.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.284 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.491 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -116.8 112.49 21.2 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.806 -179.626 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.491 ' N ' HD13 ' A' ' 122' ' ' LEU . 60.3 mtt180 -112.41 117.76 33.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.968 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 6.1 mt -105.59 128.48 59.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.202 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -126.42 118.23 24.56 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.769 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -101.06 113.57 26.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.279 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.657 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -81.65 -42.95 19.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.819 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -132.05 143.85 50.34 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.434 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.1 mt -103.78 124.44 58.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.57 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -167.58 119.51 0.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.347 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -149.77 -175.16 4.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.515 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -99.83 -57.43 2.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.516 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.57 162.72 19.36 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.387 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.51 -2.92 11.49 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.588 2.192 . . . . 0.0 112.091 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 tp -45.52 -27.7 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.66 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.494 ' CG ' ' N ' ' A' ' 137' ' ' LYS . 0.0 OUTLIER -42.66 -44.03 4.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.5 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.494 ' N ' ' CG ' ' A' ' 136' ' ' TYR . 67.6 tttt -57.21 -55.32 36.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.524 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -45.93 -36.56 5.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.463 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 136' ' ' TYR . . . -61.59 -57.34 12.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.55 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.6 mp -46.17 -34.27 4.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.514 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -77.97 -57.8 3.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.714 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.49 ' SD ' ' OG ' ' A' ' 103' ' ' SER . 2.5 ttm -44.49 -26.83 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.385 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 146' ' ' ALA . 10.2 mt -81.34 -48.88 11.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.468 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -44.98 -35.73 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.516 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.14 -24.52 47.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.542 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -78.99 -24.01 44.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.469 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 88.38 22.34 41.14 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -85.83 160.68 19.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.709 0.29 . . . . 0.0 110.603 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.5 125.93 39.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.493 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 2.2 t -132.14 115.4 26.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.594 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 5.6 p -149.75 161.88 41.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.543 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.521 HG23 ' O ' ' A' ' 152' ' ' ILE . 0.9 OUTLIER -84.39 126.69 40.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.533 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.59 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 3.3 ttt -41.6 108.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.601 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.28 174.2 7.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.592 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -53.48 -49.23 67.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.65 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -55.27 -60.55 3.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.744 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' GLU . . . . . 0.408 ' CD ' ' N ' ' A' ' 157' ' ' GLU . 3.9 mp0 -54.53 -28.84 48.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.794 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.59 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 0.3 OUTLIER -67.83 -63.9 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.673 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 11.6 ttpp -42.62 -46.16 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.993 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 160' ' ' HIS . . . . . 0.487 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.2 OUTLIER -67.78 -55.2 13.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.905 -179.681 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.487 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 10.9 t -56.21 -23.72 37.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.957 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 162' ' ' TRP . . . . . 0.634 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 4.5 t-105 -72.52 -69.72 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.913 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 163' ' ' ASP . . . . . 0.634 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 1.1 p30 -63.51 -14.23 48.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.274 -179.25 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.697 HG21 ' OE1' ' A' ' 36' ' ' GLU . 99.5 m -84.82 -25.75 27.91 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.22 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -121.56 18.77 11.25 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.594 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.538 ' C ' ' H ' ' A' ' 168' ' ' HIS . 58.8 t -134.44 154.09 36.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 121.06 0.457 . . . . 0.0 111.248 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 167' ' ' ASP . . . . . 0.432 ' N ' HG12 ' A' ' 166' ' ' VAL . 0.6 OUTLIER -75.05 33.02 0.1 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.575 179.424 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.756 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -38.18 -53.21 1.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.11 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 169' ' ' GLN . . . . . 0.629 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 42.8 mm-40 39.03 19.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.367 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 170' ' ' GLY . . . . . 0.756 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 140.35 0.08 1.91 Allowed Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 171' ' ' CYS . . . . . 0.618 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 1.2 m -114.12 85.98 10.98 Favored Pre-proline 0 CA--C 1.531 0.222 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -77.47 163.09 30.1 Favored 'Trans proline' 0 C--N 1.314 -1.283 0 C-N-CA 122.061 1.841 . . . . 0.0 112.655 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -51.56 142.56 13.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.734 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -120.84 84.1 37.66 Favored Pre-proline 0 CA--C 1.532 0.251 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.435 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -48.63 131.28 23.78 Favored 'Trans proline' 0 C--N 1.311 -1.435 0 C-N-CA 122.273 1.982 . . . . 0.0 112.147 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 1.3 p90 -98.25 178.15 5.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.509 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -80.84 101.13 9.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.517 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 139.11 -21.44 2.97 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.5 tt -42.26 -44.72 3.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.729 0.299 . . . . 0.0 110.505 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 180' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' A' ' 180' ' ' ASP . 0.6 OUTLIER -62.17 -54.02 47.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.567 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -53.35 -54.44 36.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.577 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -50.68 -46.66 58.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.549 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 12.1 t -62.15 -34.08 75.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.599 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -61.95 -34.72 76.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.612 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -74.11 -61.02 2.0 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.558 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 45.3 mt -56.27 -52.65 63.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.537 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 8.5 t -60.18 -46.47 89.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.635 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -47.22 -39.12 12.72 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 189' ' ' ARG . . . . . 0.419 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 0.4 OUTLIER -68.43 -60.03 2.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.797 0.332 . . . . 0.0 110.598 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.471 ' CD2' HD23 ' A' ' 194' ' ' LEU . 0.8 OUTLIER -49.03 -46.89 44.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.568 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -61.97 -36.45 81.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.609 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 192' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -55.06 -48.27 73.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.654 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 193' ' ' ILE . . . . . 0.503 ' N ' HD12 ' A' ' 193' ' ' ILE . 1.6 mp -72.87 -43.32 60.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.626 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 194' ' ' LEU . . . . . 0.471 HD23 ' CD2' ' A' ' 190' ' ' LEU . 1.6 mm? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.637 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.751 0.31 . . . . 0.0 110.362 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.983 ' H ' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -98.82 173.44 6.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.524 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.59 ' SD ' ' CZ ' ' A' ' 54' ' ' PHE . 3.5 mpp? -74.81 167.34 22.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.756 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.67 144.69 80.78 Favored Pre-proline 0 CA--C 1.537 0.451 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.478 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.424 ' O ' ' OG1' ' A' ' 19' ' ' THR . 88.7 Cg_exo -41.49 -48.08 5.58 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 122.113 1.876 . . . . 0.0 112.13 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -45.62 74.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.117 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.9 mm -48.75 -33.58 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.813 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 35.9 t80 -82.5 -60.52 2.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 110.877 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -52.21 -25.66 9.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 -179.69 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.0 t -85.3 -46.93 10.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.66 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.598 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 24.2 t-20 -66.03 -26.44 67.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.666 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -110.19 22.0 16.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.684 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -61.72 102.97 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -43.2 118.57 1.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.609 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.35 76.91 1.01 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.404 ' O ' ' CZ ' ' A' ' 130' ' ' TYR . 1.8 pp -136.71 167.05 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.768 0.318 . . . . 0.0 110.469 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.4 ' H ' ' H ' ' A' ' 28' ' ' ARG . . . -158.51 -2.91 0.07 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 0.5 OUTLIER -172.9 120.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.589 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' A' ' 28' ' ' ARG . 3.8 m-70 -176.41 -89.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.625 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -175.17 102.14 0.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.296 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.73 HG22 ' CD2' ' A' ' 98' ' ' TRP . 1.6 p -46.56 159.94 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.048 0.451 . . . . 0.0 111.113 -179.52 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.598 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -130.58 146.99 52.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.264 179.847 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.587 ' C ' HD23 ' A' ' 33' ' ' LEU . 4.2 tt -136.29 109.19 7.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.665 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.476 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -104.25 112.36 25.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.006 179.499 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.477 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 41.6 p90 -105.61 145.85 30.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.197 -179.386 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.543 ' OE2' HG21 ' A' ' 164' ' ' THR . 3.5 mt-10 -139.29 130.73 27.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.374 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.722 HG11 ' CE1' ' A' ' 51' ' ' HIS . 17.4 t -98.14 135.79 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.979 0.419 . . . . 0.0 110.771 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -142.92 140.75 31.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.428 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.508 ' NH1' ' OD2' ' A' ' 41' ' ' ASP . 49.1 ttp85 -101.63 147.45 26.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.513 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mp -100.07 139.48 35.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.624 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.508 ' OD2' ' NH1' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -149.83 103.18 3.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.543 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.422 ' C ' ' H ' ' A' ' 44' ' ' THR . 3.4 t30 52.91 48.31 22.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.594 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.76 -16.76 3.04 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.422 ' H ' ' C ' ' A' ' 42' ' ' ASN . 1.3 m -84.23 106.94 16.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.87 0.366 . . . . 0.0 110.564 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.463 ' CB ' HH21 ' A' ' 91' ' ' ARG . 72.7 m -85.67 142.85 28.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.544 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 46' ' ' VAL . 20.4 m -136.28 117.52 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.64 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.32 150.38 24.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.38 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.69 156.7 22.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.662 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.92 -50.49 4.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.638 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -85.14 61.75 7.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.979 0.419 . . . . 0.0 110.189 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.722 ' CE1' HG11 ' A' ' 37' ' ' VAL . 5.1 t-80 -173.41 14.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.133 -179.575 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.36 170.99 14.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.614 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.477 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . 179.98 -160.34 25.31 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.59 ' CZ ' ' SD ' ' A' ' 13' ' ' MET . 6.9 p90 -149.35 152.29 35.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.761 0.315 . . . . 0.0 110.68 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.418 HD12 ' O ' ' A' ' 54' ' ' PHE . 1.2 mp -127.2 178.52 5.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.465 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -139.62 148.43 42.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.653 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.644 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.781 0.324 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.16 -25.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.402 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -63.33 -44.24 95.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.449 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.7 -59.96 3.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.046 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.5 ttp85 -53.19 -24.21 10.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.1 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -81.74 -39.43 24.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.356 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 tp -59.43 -23.57 62.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.08 0.467 . . . . 0.0 109.825 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.07 -16.52 57.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.3 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 78' ' ' LEU . 6.3 tt -92.29 -5.15 52.86 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.034 -179.175 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.502 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -54.33 -44.27 98.53 Favored Pre-proline 0 CA--C 1.534 0.354 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.556 -179.31 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 25.8 Cg_exo -59.57 -20.77 59.08 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 121.995 1.797 . . . . 0.0 111.964 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.434 ' C ' HD12 ' A' ' 82' ' ' LEU . 6.1 m -69.0 -9.08 50.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.588 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.454 ' CD1' ' N ' ' A' ' 82' ' ' LEU . 7.3 mp -100.58 -45.55 5.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.303 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.573 ' NE2' ' O ' ' A' ' 83' ' ' GLN . 0.0 OUTLIER 68.59 51.9 0.61 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.86 179.597 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 51.8 mt -68.56 101.92 1.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.437 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.544 ' OD1' ' NE2' ' A' ' 83' ' ' GLN . 0.3 OUTLIER -77.91 161.35 71.53 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.538 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 87' ' ' ALA . 52.1 Cg_endo -71.47 1.28 5.72 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.577 2.185 . . . . 0.0 112.12 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 86' ' ' PRO . . . -41.57 -93.92 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.547 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.571 ' H ' ' CD ' ' A' ' 88' ' ' GLN . 0.1 OUTLIER -104.73 -168.91 1.54 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.381 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.476 HG22 ' N ' ' A' ' 90' ' ' TYR . 3.2 mm -85.61 157.82 3.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.535 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.476 ' N ' HG22 ' A' ' 89' ' ' ILE . 18.1 m-85 -135.65 168.29 19.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.342 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.463 HH21 ' CB ' ' A' ' 45' ' ' SER . 0.5 OUTLIER -150.59 107.79 3.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.796 -179.839 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.432 ' O ' HD23 ' A' ' 122' ' ' LEU . 46.4 t -96.14 124.78 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.926 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.6 m -99.63 119.91 38.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.741 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.527 ' CD1' HD21 ' A' ' 122' ' ' LEU . 20.4 m0 -100.35 132.21 45.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.058 0.456 . . . . 0.0 110.677 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.432 ' CE2' ' SG ' ' A' ' 161' ' ' CYS . 62.7 m-85 -124.49 102.75 7.8 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.214 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -111.52 143.44 21.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.684 -178.145 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.636 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 1.6 p -91.63 -26.76 18.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.892 179.146 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.73 ' CD2' HG22 ' A' ' 31' ' ' THR . 16.5 m95 -111.79 151.0 29.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.123 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.511 ' CB ' HG23 ' A' ' 129' ' ' ILE . 37.8 m -83.57 150.61 60.19 Favored Pre-proline 0 CA--C 1.533 0.326 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.499 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' A' ' 99' ' ' SER . 66.5 Cg_exo -42.11 170.84 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.284 0 C-N-CA 122.244 1.963 . . . . 0.0 112.375 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.7 p -112.19 -46.56 3.18 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.275 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' A' ' 105' ' ' GLY . 1.5 t80 -135.79 111.37 9.26 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.94 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.608 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 80.2 p -41.08 -36.64 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.977 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -85.25 -19.82 31.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.586 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.22 -63.23 1.59 Allowed Glycine 0 CA--C 1.525 0.695 0 C-N-CA 120.43 -0.89 . . . . 0.0 110.935 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.4 m -78.1 -68.97 0.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 0.0 110.697 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -54.85 -39.05 68.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.604 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -56.96 -60.3 9.29 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -51.15 -39.78 57.09 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.295 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.54 -37.14 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.489 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -59.6 -58.9 6.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.414 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.411 ' O ' ' OE1' ' A' ' 116' ' ' GLU . . . -49.59 -42.6 44.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.361 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -61.91 -31.16 71.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.651 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.0 mp -80.9 -52.05 7.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.725 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -51.86 -25.9 8.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.573 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' A' ' 112' ' ' ALA . 5.0 pt-20 -110.18 18.09 20.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.525 ' C ' ' H ' ' A' ' 119' ' ' HIS . 1.3 t-20 -166.53 35.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.739 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 68.7 p -51.48 -5.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.173 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.525 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.2 OUTLIER -75.73 11.23 1.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 0.0 110.657 -179.881 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.465 ' O ' HG13 ' A' ' 120' ' ' VAL . 4.1 p -138.94 129.33 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.68 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -91.47 120.92 32.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.346 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.527 HD21 ' CD1' ' A' ' 94' ' ' TRP . 0.7 OUTLIER -107.18 112.59 25.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.048 -179.736 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -94.34 121.16 35.58 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 21.0 mm -104.38 125.97 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.927 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -126.4 113.42 16.84 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -98.25 110.87 23.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.155 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.636 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -78.52 -38.82 39.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.788 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.487 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.5 OUTLIER -137.05 148.6 46.89 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.571 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.511 HG23 ' CB ' ' A' ' 99' ' ' SER . 2.1 mp -114.17 104.25 16.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.747 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.404 ' CZ ' ' O ' ' A' ' 26' ' ' ILE . 6.9 m-85 -140.13 118.69 12.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.258 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.417 ' C ' ' H ' ' A' ' 133' ' ' ASP . 19.6 p30 -177.61 138.3 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.462 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' TYR . . . . . 0.504 ' CD2' ' OD1' ' A' ' 133' ' ' ASP . 54.7 p90 -74.21 10.06 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.143 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.504 ' OD1' ' CD2' ' A' ' 132' ' ' TYR . 57.9 m-20 -125.48 78.99 67.68 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.545 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 136' ' ' TYR . 50.7 Cg_exo -49.9 -5.35 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.638 2.226 . . . . 0.0 112.492 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.499 ' H ' ' C ' ' A' ' 133' ' ' ASP . 2.6 mt -46.84 -14.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.608 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.486 ' N ' ' O ' ' A' ' 134' ' ' PRO . 0.2 OUTLIER -42.19 -33.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.546 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -52.74 -59.21 4.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.251 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.05 -32.21 63.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.154 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -69.02 -24.09 64.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.388 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.7 -43.54 54.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.245 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -80.12 -36.91 34.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.769 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -46.53 80.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.687 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.506 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 52.5 tp -66.19 -49.76 66.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.464 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.438 ' NH1' HD21 ' A' ' 194' ' ' LEU . 8.5 ttt85 -45.0 -48.66 11.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.555 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -58.54 -24.82 61.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.584 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 143' ' ' LEU . . . -70.81 -10.94 60.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.636 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.31 -32.34 6.04 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -47.59 164.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.77 0.319 . . . . 0.0 110.502 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -96.25 132.7 41.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.513 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.99 111.92 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.654 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.08 162.11 41.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.509 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 10.1 mt -83.02 132.87 30.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.449 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.586 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 5.8 ttt -41.51 118.92 1.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.539 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.24 160.03 15.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.642 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -56.21 -45.98 79.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.616 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -43.14 75.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.492 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -65.85 -40.27 91.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.519 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.586 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.8 OUTLIER -52.37 -41.45 63.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.536 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -67.03 -60.79 2.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.595 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 160' ' ' HIS . . . . . 0.432 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -47.74 -44.47 28.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.363 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.529 ' O ' ' N ' ' A' ' 165' ' ' PHE . 1.3 m -67.19 -52.92 35.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.591 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 162' ' ' TRP . . . . . 0.585 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.1 t-105 -43.81 -66.57 0.37 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 163' ' ' ASP . . . . . 0.585 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -59.37 -30.35 68.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.452 -179.215 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.543 HG21 ' OE2' ' A' ' 36' ' ' GLU . 91.0 m -83.74 -16.36 45.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.354 -179.096 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.529 ' N ' ' O ' ' A' ' 161' ' ' CYS . 36.1 m-85 -120.42 19.7 12.0 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.377 -179.459 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.531 ' C ' ' H ' ' A' ' 168' ' ' HIS . 96.1 t -144.67 154.05 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.026 0.441 . . . . 0.0 111.121 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 167' ' ' ASP . . . . . 0.589 ' HA ' HD23 ' A' ' 12' ' ' LEU . 32.8 p30 -75.5 29.22 0.1 Allowed 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.873 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.744 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -37.84 -52.18 1.31 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.036 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 169' ' ' GLN . . . . . 0.609 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 13.8 mt-30 40.12 18.62 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.396 179.007 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 170' ' ' GLY . . . . . 0.744 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 138.92 4.42 1.56 Allowed Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.386 -0.685 . . . . 0.0 111.386 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 171' ' ' CYS . . . . . 0.627 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 1.2 m -115.55 84.1 11.82 Favored Pre-proline 0 CA--C 1.53 0.201 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -79.19 131.87 10.02 Favored 'Trans proline' 0 C--N 1.313 -1.303 0 C-N-CA 122.137 1.891 . . . . 0.0 112.317 -179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.434 ' CE1' ' O ' ' A' ' 174' ' ' GLN . 2.4 t80 -79.31 128.72 33.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.65 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 174' ' ' GLN . . . . . 0.459 ' CD ' ' N ' ' A' ' 174' ' ' GLN . 0.0 OUTLIER -101.23 156.68 34.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.423 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -71.29 146.89 52.0 Favored 'Trans proline' 0 N--CA 1.494 1.5 0 C-N-CA 122.476 2.118 . . . . 0.0 112.098 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 1.2 p90 -101.18 -170.06 1.78 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.292 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.25 86.56 7.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.585 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 151.78 -24.76 0.93 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 3.1 tp -56.57 -38.26 71.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 110.46 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 180' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 180' ' ' ASP . 0.0 OUTLIER -70.4 -50.93 33.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.495 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -56.47 -57.19 13.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.54 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -49.38 -55.45 12.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.575 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 55.4 p -48.46 -39.72 23.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.63 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -66.73 -48.04 70.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.461 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -57.7 -58.62 7.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.425 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 5.6 mt -51.6 -49.15 62.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.519 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 48.4 m -56.51 -25.04 50.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.492 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -72.42 -44.98 39.96 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 189' ' ' ARG . . . . . 0.55 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 22.2 mtm180 -59.4 -61.67 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.318 . . . . 0.0 110.493 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.2 tt -47.8 -56.65 6.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.468 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -49.97 -36.17 27.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.564 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 192' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -57.78 -50.42 73.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.62 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 193' ' ' ILE . . . . . 0.507 ' N ' HD12 ' A' ' 193' ' ' ILE . 1.7 mp -59.45 -38.12 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.461 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 194' ' ' LEU . . . . . 0.438 HD21 ' NH1' ' A' ' 144' ' ' ARG . 4.0 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.55 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.768 0.318 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.512 ' N ' HD12 ' A' ' 12' ' ' LEU . 6.4 mp -94.55 174.98 6.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.068 -179.835 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.508 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -61.16 144.26 53.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.322 -179.818 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.0 138.7 79.34 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.781 -179.213 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.408 ' O ' ' OG1' ' A' ' 19' ' ' THR . 81.0 Cg_exo -40.96 -46.76 5.0 Favored 'Trans proline' 0 N--CA 1.491 1.331 0 C-N-CA 122.132 1.888 . . . . 0.0 112.407 179.436 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -70.17 -44.73 68.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.197 -179.442 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.7 mm -48.81 -39.18 11.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.75 -179.525 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -79.3 -60.89 2.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.689 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.5 OUTLIER -48.16 -24.24 1.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.642 -179.954 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.5 t -81.08 -49.36 10.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.63 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -71.81 -1.63 14.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.732 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -133.17 24.52 4.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.664 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.46 ' CG ' ' H ' ' A' ' 24' ' ' ASN . 53.2 t-20 -77.86 -119.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.614 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.46 ' H ' ' CG ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -148.7 157.61 43.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.497 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 43.38 70.96 0.47 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.527 ' C ' HD12 ' A' ' 26' ' ' ILE . 1.6 pp -103.2 -165.95 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.23 159.05 27.88 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.519 ' CA ' ' NE ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -68.64 124.34 23.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.415 0.626 . . . . 0.0 110.392 -179.289 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.574 ' N ' ' ND1' ' A' ' 29' ' ' HIS . 0.0 OUTLIER -157.29 -30.35 0.08 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.544 179.537 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.44 ' N ' ' ND1' ' A' ' 29' ' ' HIS . 2.9 pttt 168.23 77.35 0.0 OUTLIER 'General case' 0 C--O 1.231 0.095 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.793 179.641 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.9 t -44.52 162.29 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.769 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -110.65 151.05 28.14 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.754 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.1 tp -143.12 111.88 6.44 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.454 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.31 132.19 51.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.065 179.437 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.441 ' O ' ' CG ' ' A' ' 35' ' ' TYR . 6.5 p90 -123.82 134.57 53.59 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 -179.568 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -123.26 159.1 29.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.276 179.587 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.618 HG21 ' CE1' ' A' ' 51' ' ' HIS . 25.6 t -130.56 123.38 54.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.584 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.526 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 1.2 tm-20 -139.14 138.24 36.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.625 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -98.11 139.02 34.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.496 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.435 HD11 ' HB2' ' A' ' 91' ' ' ARG . 8.9 mt -105.77 137.79 43.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.502 -179.793 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -148.42 104.57 3.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.527 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.9 m120 55.66 36.1 26.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.554 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.9 -3.17 84.7 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.9 m -87.61 114.5 24.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 110.526 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.422 ' OG ' ' OE1' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -97.41 110.27 22.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.589 -179.938 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.8 t -101.53 98.37 6.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.532 179.906 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -73.33 131.55 42.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.444 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.464 ' O ' ' NH1' ' A' ' 52' ' ' ARG . 53.8 mtt -80.97 150.77 28.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.658 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.21 -50.4 5.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.474 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -108.44 71.07 0.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.383 179.834 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.622 ' NE2' HD22 ' A' ' 82' ' ' LEU . 33.9 t-80 -163.66 14.39 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.619 -179.734 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.464 ' NH1' ' O ' ' A' ' 48' ' ' MET . 5.5 ptp85 -124.21 170.84 10.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.56 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -178.94 -174.26 44.97 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.491 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 8.1 p90 -147.47 147.92 30.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.734 0.302 . . . . 0.0 110.678 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mp -133.56 166.67 22.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.592 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -128.94 151.57 49.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.217 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 110.929 -179.804 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.758 0.313 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.62 -36.52 80.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.439 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -55.96 -52.14 65.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.493 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.2 mp -53.05 -39.01 62.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.477 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -69.46 -27.44 65.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.58 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -78.86 -48.22 15.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.593 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 tp -65.76 -20.32 66.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.667 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -77.43 -29.06 52.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.991 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.661 ' C ' HD12 ' A' ' 78' ' ' LEU . 4.1 pp -105.05 7.79 34.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.675 -179.891 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.572 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -63.88 -41.44 63.65 Favored Pre-proline 0 CA--C 1.532 0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.806 179.865 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 32.9 Cg_exo -58.5 -18.53 39.84 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.166 1.911 . . . . 0.0 111.9 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.2 t -57.1 -8.98 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.598 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.622 HD22 ' NE2' ' A' ' 51' ' ' HIS . 35.1 mt -97.41 -34.64 10.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.531 -179.783 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 56.34 44.91 23.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.89 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 79.6 mt -50.46 135.86 21.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.219 179.727 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.51 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -100.63 162.58 20.28 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.615 -179.798 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -71.75 3.8 3.54 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.572 2.182 . . . . 0.0 112.232 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.56 -70.61 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.567 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.473 ' N ' ' CD ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -129.68 -176.42 3.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.199 179.804 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.9 mt -84.64 157.96 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.612 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -127.92 169.71 13.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.618 -179.907 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.526 ' NH2' ' OE1' ' A' ' 38' ' ' GLU . 4.6 ttm180 -147.09 107.35 4.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.621 179.822 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 39.5 t -93.31 126.48 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.291 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.34 116.75 32.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.814 -179.649 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 14.0 m0 -101.31 131.96 47.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.568 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.518 ' CG ' ' SG ' ' A' ' 161' ' ' CYS . 19.0 m-85 -126.68 102.94 7.29 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 178.664 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.74 141.08 24.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.76 -178.548 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.626 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 2.9 p -93.24 -18.42 22.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.669 178.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.517 ' CE3' ' NH2' ' A' ' 28' ' ' ARG . 20.1 m95 -125.63 141.64 51.92 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.391 -179.903 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.807 ' OG ' HG23 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -54.33 159.73 2.98 Favored Pre-proline 0 C--N 1.331 -0.233 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.327 179.513 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -69.45 165.01 32.08 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 122.388 2.059 . . . . 0.0 112.203 179.715 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.598 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 13.9 p -96.58 -145.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.545 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.598 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -40.96 103.57 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.892 179.568 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.898 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 17.5 p -38.86 -24.63 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.646 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.52 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -84.61 -33.95 23.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.254 -179.59 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -77.65 -61.65 2.54 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -68.64 -68.95 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.742 0.306 . . . . 0.0 111.123 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.898 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -55.87 -60.36 3.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.092 -179.475 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -42.0 -53.05 4.77 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.68 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 105' ' ' GLY . 6.0 mm-40 -49.42 -44.68 45.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.37 . . . . 0.0 110.328 179.862 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 87.1 t -68.29 -43.33 84.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.438 179.832 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.495 ' NH2' ' OE1' ' A' ' 115' ' ' GLN . 69.7 ttt-85 -49.22 -58.51 4.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.42 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.8 -48.01 67.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.389 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -52.61 -36.45 56.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.508 179.843 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.464 ' C ' ' N ' ' A' ' 116' ' ' GLU . 4.8 mp -77.81 -58.48 3.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.55 -179.912 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.495 ' OE1' ' NH2' ' A' ' 111' ' ' ARG . 14.6 mt-30 -47.99 -15.17 0.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.42 179.86 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.464 ' N ' ' C ' ' A' ' 114' ' ' LEU . 29.9 tt0 -110.13 -38.64 5.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.808 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.689 ' O ' HG12 ' A' ' 120' ' ' VAL . 70.3 m-20 -125.3 52.95 1.57 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.825 -179.668 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.4 t -67.65 2.57 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.512 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.418 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.7 OUTLIER -76.31 9.83 2.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.358 179.871 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.689 HG12 ' O ' ' A' ' 117' ' ' ASN . 9.3 p -132.36 147.28 32.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.518 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -91.53 126.71 36.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.369 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.495 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -107.83 112.33 24.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.575 -179.793 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.495 ' N ' HD13 ' A' ' 122' ' ' LEU . 13.0 mtp180 -110.71 118.89 37.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.984 179.496 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.401 HG21 HD13 ' A' ' 124' ' ' ILE . 9.1 mt -105.45 129.17 58.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.117 -179.254 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.523 ' CD1' ' OE1' ' A' ' 157' ' ' GLU . 65.9 m-85 -124.86 108.49 11.97 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.734 179.514 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -92.22 106.87 18.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.265 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.626 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -75.17 -38.11 60.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.623 -179.846 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.43 132.88 28.52 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.733 179.889 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.807 HG23 ' OG ' ' A' ' 99' ' ' SER . 2.5 mp -98.2 109.71 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.621 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -127.96 135.35 49.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.383 179.672 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -168.39 171.75 8.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.681 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -103.57 -21.75 13.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.627 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.01 160.4 58.28 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.379 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.45 64.52 2.89 Favored 'Trans proline' 0 C--N 1.31 -1.472 0 C-N-CA 122.481 2.121 . . . . 0.0 111.898 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.5 tp -92.96 -30.79 15.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.571 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.596 ' OH ' HD12 ' A' ' 193' ' ' ILE . 0.5 OUTLIER -45.98 -24.92 0.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.51 -179.92 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.594 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 10.1 ttmm -58.9 -61.1 2.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.519 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.96 -36.04 69.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.53 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.7 -49.79 75.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.527 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.517 HD21 ' CD1' ' A' ' 190' ' ' LEU . 2.5 mp -52.99 -41.51 64.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.455 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 141' ' ' GLN . . . . . 0.406 ' OE1' ' NH2' ' A' ' 144' ' ' ARG . 7.9 mm100 -70.89 -54.87 9.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.618 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 9.9 mmm -45.27 -41.97 9.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.587 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.1 mt -68.92 -42.41 76.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.645 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.406 ' NH2' ' OE1' ' A' ' 141' ' ' GLN . 16.3 ttm180 -56.31 -31.49 63.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.518 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.3 -14.15 41.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.579 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.43 -18.14 27.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.542 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.8 70.69 1.26 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -144.51 166.76 24.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 110.561 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -93.65 123.12 36.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.55 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -127.46 109.95 21.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.588 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 67.6 m -151.48 162.52 40.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.414 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 22.9 mt -90.91 139.03 18.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.495 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.585 ' SD ' ' CE1' ' A' ' 158' ' ' PHE . 2.8 ttm -48.87 120.03 3.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.593 -179.858 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 31.7 p -97.84 165.63 11.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.739 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -48.0 -44.26 30.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.663 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -62.2 -61.05 2.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 157' ' ' GLU . . . . . 0.523 ' OE1' ' CD1' ' A' ' 125' ' ' PHE . 37.0 mt-10 -52.2 -29.05 20.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.603 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.585 ' CE1' ' SD ' ' A' ' 153' ' ' MET . 0.3 OUTLIER -63.25 -65.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.32 179.814 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -42.52 -41.22 2.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 160' ' ' HIS . . . . . 0.612 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.93 -57.58 4.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.594 -179.894 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.612 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 2.6 t -55.08 -23.22 19.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.569 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 162' ' ' TRP . . . . . 0.617 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.4 t-105 -72.56 -70.52 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.209 -179.554 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 163' ' ' ASP . . . . . 0.617 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 1.4 p30 -66.23 -14.34 61.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.333 -179.359 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 87.1 m -81.71 -25.87 35.08 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.192 -179.604 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.508 ' O ' ' SD ' ' A' ' 13' ' ' MET . 5.3 m-85 -121.26 16.82 11.48 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.161 -179.547 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.551 ' C ' ' H ' ' A' ' 168' ' ' HIS . 71.5 t -130.66 153.8 39.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.882 0.372 . . . . 0.0 111.587 179.912 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 167' ' ' ASP . . . . . 0.47 ' N ' HG12 ' A' ' 166' ' ' VAL . 1.5 p-10 -74.69 29.71 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.608 178.885 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.73 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -36.84 -56.45 0.85 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.255 -179.783 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 169' ' ' GLN . . . . . 0.621 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 1.9 mt-30 42.72 14.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.232 179.423 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 170' ' ' GLY . . . . . 0.73 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 145.27 -1.69 1.05 Allowed Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 171' ' ' CYS . . . . . 0.629 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 0.1 OUTLIER -99.57 106.25 38.71 Favored Pre-proline 0 CA--C 1.538 0.492 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.74 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -77.1 158.24 33.97 Favored 'Trans proline' 0 N--CA 1.491 1.354 0 C-N-CA 121.737 1.624 . . . . 0.0 112.723 -179.099 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -51.81 149.79 4.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.666 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -114.26 87.07 12.82 Favored Pre-proline 0 CA--C 1.533 0.305 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.617 -179.837 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -79.9 131.22 8.94 Favored 'Trans proline' 0 C--N 1.314 -1.247 0 C-N-CA 122.132 1.888 . . . . 0.0 112.027 -179.884 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 26.7 p90 -89.77 145.19 25.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.659 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -52.96 102.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.569 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 136.33 -12.6 4.07 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.17 -30.38 26.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.563 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 180' ' ' ASP . . . . . 0.406 ' O ' ' OG ' ' A' ' 183' ' ' SER . 34.0 m-20 -73.74 -47.55 38.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.508 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -62.63 -57.58 10.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.539 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -49.68 -46.63 50.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.572 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 183' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 180' ' ' ASP . 89.1 p -59.27 -44.77 92.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.656 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -56.19 -30.25 62.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.552 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -72.94 -65.17 0.83 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 8.4 mp -53.93 -49.24 69.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.466 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 22.8 m -59.58 -32.25 70.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.382 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -67.49 -37.51 89.96 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -61.22 -59.57 5.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.775 0.321 . . . . 0.0 110.476 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.517 ' CD1' HD21 ' A' ' 140' ' ' LEU . 1.9 mm? -57.18 -28.6 62.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.512 -179.916 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -79.81 -16.26 55.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.485 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -79.46 -49.22 12.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.628 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 193' ' ' ILE . . . . . 0.596 HD12 ' OH ' ' A' ' 136' ' ' TYR . 20.6 tt -68.63 -42.44 83.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.628 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 194' ' ' LEU . . . . . 0.536 ' N ' HG23 ' A' ' 193' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.411 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.838 0.351 . . . . 0.0 110.663 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.546 ' N ' HD12 ' A' ' 12' ' ' LEU . 7.6 mp -95.17 173.35 7.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.329 179.857 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.473 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 2.6 mpp? -80.74 165.97 21.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.782 0.325 . . . . 0.0 110.447 179.594 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -81.15 143.21 52.27 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.824 -179.401 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.438 ' O ' ' OG1' ' A' ' 19' ' ' THR . 71.7 Cg_exo -42.44 -55.65 2.48 Favored 'Trans proline' 0 N--CA 1.489 1.257 0 C-N-CA 122.184 1.922 . . . . 0.0 112.701 179.612 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -59.74 -46.78 88.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.763 -179.056 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 mm -48.47 -36.06 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.853 -179.177 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -82.69 -61.14 1.96 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.724 0.297 . . . . 0.0 110.913 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -44.35 -24.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.783 -179.674 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.6 m -85.75 -59.7 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.759 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -64.78 -4.06 3.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 23' ' ' ASN . 41.8 m-85 -133.37 17.67 4.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.675 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 22' ' ' PHE . 58.9 t-20 -59.79 -123.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.5 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -158.92 119.67 3.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.674 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.702 ' H ' ' NH1' ' A' ' 128' ' ' ARG . . . 69.17 108.25 0.03 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.707 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -145.57 -167.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.867 0.365 . . . . 0.0 110.588 179.865 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.58 30.87 0.41 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.47 ' O ' ' CH2' ' A' ' 98' ' ' TRP . 0.2 OUTLIER -103.77 150.42 24.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.852 0.358 . . . . 0.0 110.638 -179.94 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.523 ' N ' ' ND1' ' A' ' 29' ' ' HIS . 0.6 OUTLIER -101.84 82.94 2.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.55 179.889 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.77 50.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.616 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 t -46.97 153.82 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.142 -179.77 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.65 ' CZ ' ' CD2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -115.75 140.48 49.17 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.115 179.487 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.619 ' C ' HD23 ' A' ' 33' ' ' LEU . 5.3 tt -132.45 118.04 18.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.607 -179.692 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.616 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -111.67 125.55 54.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.075 179.578 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.401 ' CZ ' ' N ' ' A' ' 53' ' ' GLY . 29.4 p90 -115.26 143.1 45.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 -179.664 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.484 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 1.2 mm-40 -128.69 156.98 42.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.317 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.738 HG11 ' CE1' ' A' ' 51' ' ' HIS . 7.0 t -129.09 127.67 66.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.863 -179.79 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -136.7 118.12 14.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.351 179.609 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.1 ttt-85 -87.13 135.91 33.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.644 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.612 ' N ' HD22 ' A' ' 40' ' ' LEU . 3.6 mm? -72.59 145.3 47.46 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -153.44 107.33 3.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.616 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.05 22.12 8.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.567 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.91 -12.95 66.8 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.7 m -89.0 138.59 31.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.78 0.324 . . . . 0.0 110.579 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.421 ' O ' ' OG ' ' A' ' 45' ' ' SER . 0.9 OUTLIER -86.62 112.1 21.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.492 -179.941 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.3 t -99.57 107.22 20.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.585 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -83.57 136.36 34.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.51 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 57.9 mtm -99.85 145.96 27.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.657 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.4 -50.12 7.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.574 -179.899 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -92.15 69.74 5.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.44 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.738 ' CE1' HG11 ' A' ' 37' ' ' VAL . 13.9 t-80 -168.51 -5.61 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.539 -179.865 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -103.06 170.71 7.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.495 -179.913 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.401 ' N ' ' CZ ' ' A' ' 35' ' ' TYR . . . -175.05 175.83 47.12 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.454 ' CE1' ' SD ' ' A' ' 13' ' ' MET . 18.2 p90 -149.87 152.81 35.7 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.5 150.21 17.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 110.763 -179.876 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.733 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -100.58 164.43 11.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.246 179.828 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.8 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.752 ' CE1' HD13 ' A' ' 73' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.529 0.138 0 CA-C-O 120.934 0.397 . . . . 0.0 110.665 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.1 -21.15 65.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.582 -178.944 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.52 ' OE2' ' CZ3' ' A' ' 94' ' ' TRP . 2.1 tp10 -42.31 -58.53 2.15 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.879 -179.462 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.752 HD13 ' CE1' ' A' ' 70' ' ' HIS . 3.8 mp -63.66 -48.47 77.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.178 -179.692 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.1 mmm-85 -44.0 -28.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.413 -179.822 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -84.54 -49.89 8.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.305 179.673 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.3 tp -60.15 -19.48 54.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.454 179.689 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -72.77 -41.48 65.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.701 -179.276 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.0 pp -97.11 8.79 43.77 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.02 -179.544 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.573 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -63.62 -41.55 66.55 Favored Pre-proline 0 CA--C 1.533 0.313 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.888 179.781 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 34.5 Cg_exo -57.19 -18.8 31.18 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.145 1.897 . . . . 0.0 111.95 -179.914 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.21 -22.07 64.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.463 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.687 HD22 ' CE1' ' A' ' 51' ' ' HIS . 10.7 mt -71.29 -26.2 62.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.475 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 63.22 47.22 4.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.736 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' A' ' 84' ' ' LEU . 74.9 mt -41.81 156.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.439 179.76 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -115.28 85.43 12.85 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.662 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -48.07 -13.93 0.25 Allowed 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 122.257 1.971 . . . . 0.0 112.229 -179.783 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.33 -18.7 51.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.342 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -138.63 -167.55 2.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.535 ' H ' HD12 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -107.79 158.95 7.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.065 0.46 . . . . 0.0 110.587 179.803 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -140.1 163.78 31.79 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.798 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -128.2 105.75 8.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.381 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.1 t -95.18 111.3 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.285 179.801 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -98.97 118.74 36.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.757 -179.782 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.52 ' CZ3' ' OE2' ' A' ' 72' ' ' GLU . 17.6 m0 -100.92 132.28 46.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.73 179.879 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -123.11 102.72 8.13 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.361 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.42 134.18 56.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.695 -178.118 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.613 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 1.4 p -86.5 -26.49 24.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.904 178.888 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.47 ' CH2' ' O ' ' A' ' 28' ' ' ARG . 18.3 m95 -111.89 153.35 26.8 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.674 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.51 160.82 76.5 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.367 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -56.0 172.86 0.49 Allowed 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.58 2.187 . . . . 0.0 112.06 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.97 -74.06 0.63 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.605 -179.803 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.52 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -101.63 99.19 9.44 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.438 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.903 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 52.1 m -41.61 -30.18 0.21 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.985 -179.529 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -85.41 -23.92 27.72 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.731 -179.297 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -84.89 -62.15 1.7 Allowed Glycine 0 CA--C 1.525 0.682 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.223 -179.627 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 106' ' ' CYS . . . . . 0.832 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -72.92 -59.23 2.81 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.142 -179.651 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.903 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -62.33 -50.48 71.45 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.665 -179.877 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -48.96 -43.03 30.86 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.862 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.64 ' HG3' HD11 ' A' ' 73' ' ' LEU . 10.4 mm-40 -71.02 -37.01 72.61 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.093 179.702 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 106' ' ' CYS . 94.1 t -62.71 -62.95 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.436 179.672 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.552 ' NE ' HE21 ' A' ' 115' ' ' GLN . 0.1 OUTLIER -47.21 -51.72 17.77 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.331 -0.547 . . . . 0.0 109.577 179.866 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.55 ' N ' ' CG ' ' A' ' 111' ' ' ARG . . . -42.25 -44.88 3.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.423 -179.677 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -63.04 -33.18 74.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.706 179.729 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 111' ' ' ARG . 5.2 mt -76.13 -58.99 2.96 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.269 -179.521 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.552 HE21 ' NE ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -58.86 -14.08 7.99 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.241 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -103.19 -39.26 6.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.503 ' O ' ' N ' ' A' ' 119' ' ' HIS . 3.1 m-80 -125.19 49.19 1.91 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.883 -179.801 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.437 ' C ' ' H ' ' A' ' 120' ' ' VAL . 1.6 t -45.71 -13.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.081 -179.814 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.508 ' CE1' ' CG2' ' A' ' 120' ' ' VAL . 10.2 p80 -76.23 17.63 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.05 0.453 . . . . 0.0 110.472 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.508 ' CG2' ' CE1' ' A' ' 119' ' ' HIS . 42.2 t -140.14 138.3 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.384 179.822 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -91.3 148.49 22.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.111 179.766 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.497 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -129.81 112.39 13.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.815 -179.567 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.497 ' N ' HD13 ' A' ' 122' ' ' LEU . 11.3 mmt180 -114.05 118.95 35.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.788 179.385 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.401 HD12 HD21 ' A' ' 143' ' ' LEU . 7.7 mt -105.07 129.8 57.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.039 -179.36 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.521 ' CE1' ' OE2' ' A' ' 157' ' ' GLU . 66.6 m-85 -124.5 114.74 19.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.574 179.644 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -98.43 96.86 8.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.49 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.613 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -65.0 -37.62 88.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.675 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.702 ' NH1' ' H ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -138.56 134.01 33.3 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.726 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.761 ' N ' HD13 ' A' ' 129' ' ' ILE . 0.0 OUTLIER -92.48 110.0 22.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.268 179.756 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -162.55 129.38 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.453 -179.848 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.478 ' C ' ' H ' ' A' ' 133' ' ' ASP . 29.1 p-10 -174.64 131.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.493 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -70.72 9.81 0.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.213 179.8 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.533 ' C ' ' H ' ' A' ' 135' ' ' LEU . 53.3 m-20 -119.63 85.62 33.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.506 -179.909 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 136' ' ' TYR . 50.2 Cg_exo -50.43 -1.27 0.04 OUTLIER 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.639 2.226 . . . . 0.0 112.818 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.533 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.4 tp -69.48 4.66 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.8 0.333 . . . . 0.0 110.577 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.453 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 6.9 p90 -56.99 -30.39 64.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.77 -179.909 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -57.7 -60.07 4.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.336 179.815 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -59.14 -23.57 62.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.301 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 136' ' ' TYR . . . -69.25 -34.35 74.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.564 179.893 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.0 mp -72.51 -43.77 63.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.65 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -74.69 -48.89 23.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.796 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.3 -54.6 20.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.701 -179.832 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.448 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 29.7 tp -61.56 -43.7 98.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.79 -179.777 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 144' ' ' ARG . . . . . 0.471 ' C ' ' H ' ' A' ' 146' ' ' ALA . 36.8 ttp180 -47.4 -41.33 19.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.836 -179.768 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -63.22 2.28 0.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.711 -179.857 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.471 ' H ' ' C ' ' A' ' 144' ' ' ARG . . . -104.48 -24.21 13.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.652 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 102.9 -24.62 30.07 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -46.92 157.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.744 0.306 . . . . 0.0 110.603 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -95.7 124.76 39.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.524 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 150' ' ' VAL . 10.6 p -132.0 109.7 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.546 -179.875 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.11 162.02 41.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.608 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.93 139.09 19.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.516 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.585 ' SD ' ' CD1' ' A' ' 158' ' ' PHE . 9.2 ttm -49.8 148.4 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.634 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.09 156.16 29.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.683 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.466 ' C ' ' CD1' ' A' ' 155' ' ' TYR . 11.6 t80 -43.35 -47.92 6.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.789 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.74 -46.16 77.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.574 -179.872 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 157' ' ' GLU . . . . . 0.521 ' OE2' ' CE1' ' A' ' 125' ' ' PHE . 14.1 mt-10 -64.84 -41.61 95.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.727 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.585 ' CD1' ' SD ' ' A' ' 153' ' ' MET . 4.9 m-85 -51.99 -49.06 64.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.444 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 13.6 ttpt -57.28 -59.58 4.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 160' ' ' HIS . . . . . 0.428 ' CD2' ' C ' ' A' ' 160' ' ' HIS . 0.0 OUTLIER -43.03 -40.72 3.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.895 -179.771 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 165' ' ' PHE . 93.4 m -76.71 -64.32 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.883 -179.635 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 162' ' ' TRP . . . . . 0.488 ' CD1' ' C ' ' A' ' 162' ' ' TRP . 1.1 t-105 -44.33 -31.51 1.06 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.978 0.418 . . . . 0.0 110.584 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.13 -46.68 12.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.377 -179.761 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 30.7 m -86.91 -50.32 6.77 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -178.492 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.523 ' N ' ' O ' ' A' ' 161' ' ' CYS . 6.1 m-85 -74.54 12.8 0.71 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.489 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 168' ' ' HIS . 1.0 OUTLIER -150.16 137.54 13.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.526 179.588 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 167' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' A' ' 169' ' ' GLN . 0.0 OUTLIER -69.85 65.99 0.24 Allowed 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.717 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 170' ' ' GLY . 0.2 OUTLIER -56.23 -8.23 0.46 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.609 -179.188 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 169' ' ' GLN . . . . . 0.42 ' H ' ' C ' ' A' ' 167' ' ' ASP . 25.7 mm-40 40.2 22.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.631 179.758 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 170' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 168' ' ' HIS . . . 100.34 32.66 5.42 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -179.742 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 171' ' ' CYS . . . . . 0.521 ' N ' ' O ' ' A' ' 168' ' ' HIS . 9.2 t -116.31 84.56 14.49 Favored Pre-proline 0 C--N 1.331 -0.227 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 -179.871 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -47.95 164.28 0.18 Allowed 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 122.326 2.017 . . . . 0.0 112.195 -179.633 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -51.78 149.68 4.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.999 -179.459 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -116.95 85.99 18.83 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.344 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -77.14 131.9 12.25 Favored 'Trans proline' 0 C--N 1.314 -1.266 0 C-N-CA 122.068 1.846 . . . . 0.0 112.195 -179.519 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 13.2 p90 -100.18 167.4 10.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.632 -179.811 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.73 116.04 9.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.609 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 125.89 -27.71 5.08 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.0 tt -43.05 -33.72 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.33 . . . . 0.0 110.533 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -66.89 -60.9 2.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.482 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -55.14 -47.2 75.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.424 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 182' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 185' ' ' ALA . 68.8 m-70 -55.27 -62.56 1.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.539 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 39.4 p -43.87 -33.62 1.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.489 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -68.68 -35.45 77.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.431 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 185' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 182' ' ' HIS . . . -66.18 -48.23 71.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.438 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 186' ' ' LEU . . . . . 0.706 HD12 HD11 ' A' ' 129' ' ' ILE . 4.2 mm? -53.07 -47.34 68.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.032 179.745 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -27.07 68.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.106 179.604 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -68.16 -29.04 73.15 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.755 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 10.2 mtt85 -77.69 -61.72 1.9 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.85 0.357 . . . . 0.0 110.424 179.84 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.5 tt -54.29 -44.92 72.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.406 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -60.57 -43.1 97.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.601 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -49.25 -52.43 27.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.557 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 193' ' ' ILE . . . . . 0.509 ' N ' HD12 ' A' ' 193' ' ' ILE . 1.6 mp -61.22 -56.6 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.489 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.483 179.996 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.745 0.307 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.858 HD22 ' N ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -107.1 173.23 6.41 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.842 -179.96 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.6 ptp -91.14 163.03 14.42 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.228 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -69.58 146.05 95.69 Favored Pre-proline 0 CA--C 1.535 0.385 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.745 -179.353 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.42 ' O ' ' OG1' ' A' ' 19' ' ' THR . 88.1 Cg_exo -40.32 -49.19 3.98 Favored 'Trans proline' 0 N--CA 1.49 1.296 0 C-N-CA 122.296 1.997 . . . . 0.0 112.004 179.342 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.559 ' CG ' ' N ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -61.01 -54.33 46.19 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.408 -179.938 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.559 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 3.7 mm -48.58 -30.09 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.642 -179.692 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -81.77 -51.89 7.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.531 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -55.51 -33.69 63.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.444 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 16' ' ' HIS . 0.4 OUTLIER -72.59 -50.06 28.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.498 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.503 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 26.5 m120 -67.18 -11.71 58.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.507 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -133.22 26.09 4.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.527 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 19' ' ' THR . 0.2 OUTLIER -67.02 -14.37 62.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.556 -179.911 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.508 ' OD1' ' NH1' ' A' ' 128' ' ' ARG . 0.6 OUTLIER 63.88 128.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.453 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.628 ' N ' HH11 ' A' ' 128' ' ' ARG . . . 76.0 64.83 2.14 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.421 ' C ' HD12 ' A' ' 26' ' ' ILE . 1.1 pp -101.64 -175.85 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.802 0.334 . . . . 0.0 110.593 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -154.46 2.45 0.22 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.86 166.77 11.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.731 0.301 . . . . 0.0 110.512 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -100.96 93.07 5.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.545 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -173.09 52.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.361 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.766 HG22 ' CD2' ' A' ' 98' ' ' TRP . 3.2 p -46.85 162.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.987 -179.75 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.503 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -128.07 139.0 52.77 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.373 179.881 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.654 ' C ' HD23 ' A' ' 33' ' ' LEU . 6.3 tt -136.55 120.7 17.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.452 -179.763 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.59 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -113.73 110.28 19.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.245 179.632 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -92.93 134.5 35.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.82 -179.6 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.489 ' OE2' HG21 ' A' ' 164' ' ' THR . 3.6 tt0 -126.19 129.78 49.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.534 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.665 HG21 ' CE1' ' A' ' 51' ' ' HIS . 53.2 t -101.56 125.78 55.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.641 -179.916 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -133.05 127.12 33.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.523 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.5 ttm-85 -86.86 142.99 27.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.379 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mp -99.29 139.62 34.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.65 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -143.27 99.58 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.556 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.0 m-20 49.54 53.36 12.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.58 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.31 -27.1 2.85 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.0 m -69.68 120.93 16.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.783 0.325 . . . . 0.0 110.562 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.5 p -100.24 113.56 26.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.662 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.3 t -113.27 123.18 68.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.424 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.548 ' H ' ' CD ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -81.98 153.35 26.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.711 -179.842 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -102.95 147.01 27.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.52 179.899 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 49' ' ' ASP . 17.1 p-10 -93.99 -50.17 5.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.551 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.3 61.32 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.436 179.916 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.665 ' CE1' HG21 ' A' ' 37' ' ' VAL . 24.0 t-80 -170.27 25.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 -179.85 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -131.3 164.67 25.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.479 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -178.8 -175.39 45.81 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -149.21 164.09 35.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 110.812 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.8 mt -143.42 178.34 7.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.498 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.428 ' O ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -129.35 138.02 51.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.564 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' A' ' 56' ' ' HIS . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.608 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.465 ' C ' ' N ' ' A' ' 72' ' ' GLU . 2.1 t60 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.784 0.326 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -47.3 -15.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.436 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.465 ' N ' ' C ' ' A' ' 70' ' ' HIS . 2.5 tt0 -61.11 -57.42 12.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.584 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.0 mt -50.25 -46.58 54.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.593 -179.886 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -56.36 -34.86 67.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.532 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -77.42 -42.72 35.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.537 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.2 mt -68.34 -20.15 64.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.655 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -78.19 -24.41 47.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 -179.538 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.674 ' C ' HD12 ' A' ' 78' ' ' LEU . 4.1 pp -109.52 6.02 23.71 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.798 0.332 . . . . 0.0 110.929 -179.76 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.591 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -64.1 -41.21 60.25 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.749 179.907 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 23.7 Cg_exo -60.88 -19.17 60.95 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.356 2.037 . . . . 0.0 112.006 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.2 m -66.99 -24.83 66.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.587 -179.915 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.652 HD22 ' NE2' ' A' ' 51' ' ' HIS . 9.8 mt -73.57 -18.88 61.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.531 -179.849 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 56.11 45.58 23.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.452 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.6 mt -41.27 154.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.598 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.471 ' C ' ' H ' ' A' ' 87' ' ' ALA . 9.2 m-20 -116.69 85.03 16.22 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.508 179.913 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -49.84 -7.88 0.1 Allowed 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.331 2.021 . . . . 0.0 112.277 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.471 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -52.2 -17.28 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.477 179.875 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -139.83 -175.17 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.477 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.0 mm -92.54 155.32 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.605 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -145.03 168.81 19.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.672 -179.88 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -147.63 109.96 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.357 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.72 125.87 62.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.537 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.434 HG23 ' HB2' ' A' ' 123' ' ' ARG . 54.8 m -128.47 128.45 44.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.344 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.531 ' CH2' HG22 ' A' ' 110' ' ' VAL . 1.7 m0 -105.73 132.27 52.07 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.862 179.862 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -96.16 102.61 14.43 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 177.777 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.87 144.46 16.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.057 0.456 . . . . 0.0 112.051 -177.563 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.658 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 0.1 OUTLIER -96.94 -17.82 19.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.178 179.184 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.766 ' CD2' HG22 ' A' ' 31' ' ' THR . 23.9 m95 -115.26 143.68 44.88 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.538 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.22 156.96 90.09 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -42.08 163.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.312 0 C-N-CA 122.253 1.968 . . . . 0.0 112.263 179.638 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.3 p -112.17 -52.09 2.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.142 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.487 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.2 OUTLIER -135.98 113.31 10.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.761 179.597 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 108' ' ' GLY . 2.3 m -43.66 -33.03 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.913 -179.683 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -84.52 -21.33 30.58 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.968 -179.747 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -86.15 -63.79 1.5 Allowed Glycine 0 CA--C 1.527 0.797 0 C-N-CA 120.394 -0.908 . . . . 0.0 110.965 179.847 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 106' ' ' CYS . . . . . 0.555 ' O ' HG23 ' A' ' 110' ' ' VAL . 1.3 m -79.2 -69.23 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.724 0.297 . . . . 0.0 111.053 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -57.48 -24.47 55.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.534 -179.746 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -67.87 -58.95 6.94 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 179.653 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -60.12 -22.08 62.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.879 0.371 . . . . 0.0 110.488 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 106' ' ' CYS . 57.3 t -71.03 -62.83 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.791 -179.908 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.557 ' NH2' ' CE ' ' A' ' 142' ' ' MET . 3.5 ptp180 -58.01 -38.04 75.42 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.215 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -53.36 -49.4 67.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.37 179.767 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 117' ' ' ASN . 1.3 t80 -55.41 -53.28 58.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.607 179.897 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.42 ' CD2' ' O ' ' A' ' 120' ' ' VAL . 86.7 mt -58.88 -48.97 79.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.716 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -46.56 -35.75 6.12 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.345 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.417 ' O ' ' OD1' ' A' ' 117' ' ' ASN . 22.7 mt-10 -110.17 5.2 21.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.13 -179.882 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.46 ' C ' ' H ' ' A' ' 119' ' ' HIS . 28.6 m-80 -153.65 46.56 0.64 Allowed 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.952 -179.883 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 76.5 p -51.43 -10.59 0.1 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.713 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.645 ' CD2' HG23 ' A' ' 120' ' ' VAL . 0.1 OUTLIER -79.91 9.91 4.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.619 -179.919 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.645 HG23 ' CD2' ' A' ' 119' ' ' HIS . 74.2 t -126.9 129.54 71.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.481 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.511 ' CZ ' HH22 ' A' ' 123' ' ' ARG . 25.6 mtp180 -92.14 112.68 24.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.424 179.892 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.59 HD13 ' H ' ' A' ' 123' ' ' ARG . 0.1 OUTLIER -99.27 134.02 42.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.456 -179.795 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.59 ' H ' HD13 ' A' ' 122' ' ' LEU . 45.5 mtt-85 -131.84 133.14 44.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.567 179.899 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 28.5 mm -106.04 121.56 58.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.454 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -110.61 97.84 7.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.552 -179.821 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -90.34 108.24 19.65 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.181 179.675 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.658 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -84.58 -44.16 13.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.769 -179.673 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.628 HH11 ' N ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -132.31 138.82 47.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.866 0.365 . . . . 0.0 110.482 -179.917 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.3 mt -98.63 117.43 43.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.659 -179.893 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -157.59 118.86 3.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.483 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.3 -167.74 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.491 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -104.9 -63.01 1.26 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.614 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.479 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -99.69 162.6 20.62 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.434 -179.857 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -69.92 21.18 0.18 Allowed 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.599 2.199 . . . . 0.0 112.15 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.479 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.3 mt -57.07 -25.32 58.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.553 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.462 ' CD1' ' N ' ' A' ' 137' ' ' LYS . 0.6 OUTLIER -56.3 -20.61 19.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.516 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.462 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 16.5 tttm -67.47 -60.21 2.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.449 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.03 -30.51 62.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.494 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.24 -56.06 24.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.526 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.9 mp -51.17 -44.73 61.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.494 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -60.71 3.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.666 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.557 ' CE ' ' NH2' ' A' ' 111' ' ' ARG . 13.3 mtp -54.7 -26.23 32.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.543 -179.901 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.571 ' CD1' ' HB3' ' A' ' 148' ' ' ALA . 0.2 OUTLIER -60.57 -60.85 3.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.473 179.769 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -55.82 -42.19 75.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.614 -179.891 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.35 -6.25 13.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.592 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -102.2 -4.68 25.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.587 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.33 -12.29 10.32 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.571 ' HB3' ' CD1' ' A' ' 143' ' ' LEU . . . -56.79 161.68 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.848 0.356 . . . . 0.0 110.572 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 149' ' ' GLN . . . . . 0.471 ' OE1' ' NH1' ' A' ' 123' ' ' ARG . 3.0 tt0 -101.29 112.75 25.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.589 -179.932 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 150' ' ' VAL . 8.0 p -111.46 125.38 68.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.544 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.5 m -153.18 161.92 41.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.593 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.507 HG12 HD12 ' A' ' 190' ' ' LEU . 3.5 mm -94.74 150.76 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.462 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 11.0 ttm -52.14 152.36 3.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.75 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 12.2 t -136.27 -177.65 4.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.557 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -73.94 -41.53 61.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.778 -179.915 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.97 -60.92 2.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.827 -179.88 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.09 -25.16 44.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.62 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.555 ' CE1' ' CZ ' ' A' ' 173' ' ' PHE . 0.2 OUTLIER -64.02 -57.96 8.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.805 0.336 . . . . 0.0 110.658 -179.755 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -53.92 -45.82 71.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.093 -179.855 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 160' ' ' HIS . . . . . 0.538 ' CD2' ' N ' ' A' ' 161' ' ' CYS . 0.3 OUTLIER -68.79 -58.19 4.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.786 0.326 . . . . 0.0 110.867 -179.595 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.538 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 18.0 t -55.61 -23.6 28.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.761 -179.872 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 162' ' ' TRP . . . . . 0.59 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 8.0 t-105 -71.69 -70.51 0.32 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.924 -179.666 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 163' ' ' ASP . . . . . 0.59 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 1.0 OUTLIER -62.85 -14.35 44.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.248 -179.472 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.489 HG21 ' OE2' ' A' ' 36' ' ' GLU . 90.3 m -84.79 -25.25 28.3 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.962 -179.709 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -121.3 19.34 11.43 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.882 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.514 ' C ' ' H ' ' A' ' 168' ' ' HIS . 96.3 t -142.7 135.5 26.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.896 0.379 . . . . 0.0 110.785 179.855 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 167' ' ' ASP . . . . . 0.49 ' C ' ' N ' ' A' ' 169' ' ' GLN . 4.0 p30 -73.94 38.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.731 179.519 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.676 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.2 OUTLIER -47.69 -13.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.334 -179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 169' ' ' GLN . . . . . 0.49 ' N ' ' C ' ' A' ' 167' ' ' ASP . 14.7 mm-40 46.01 12.69 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.976 179.74 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 170' ' ' GLY . . . . . 0.676 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 124.67 29.63 1.04 Allowed Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 179.588 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 171' ' ' CYS . . . . . 0.667 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.0 OUTLIER -113.4 92.28 22.64 Favored Pre-proline 0 CA--C 1.538 0.498 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.689 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -47.96 154.02 2.37 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.157 1.905 . . . . 0.0 112.275 -179.479 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.555 ' CZ ' ' CE1' ' A' ' 158' ' ' PHE . 37.6 t80 -55.82 149.58 14.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.735 -179.726 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -111.71 96.35 32.37 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.691 -179.605 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -78.63 145.16 20.34 Favored 'Trans proline' 0 N--CA 1.487 1.143 0 C-N-CA 121.906 1.737 . . . . 0.0 112.042 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 176' ' ' TRP . . . . . 0.712 ' HE1' ' CD2' ' A' ' 182' ' ' HIS . 0.9 OUTLIER -81.28 179.07 8.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.53 -179.848 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 177' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 177' ' ' ASP . 30.7 p-10 -92.5 85.68 5.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.653 -179.892 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 144.48 40.56 0.06 OUTLIER Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 179' ' ' LEU . . . . . 0.616 HD12 ' NE1' ' A' ' 176' ' ' TRP . 0.8 OUTLIER -70.73 -50.47 35.81 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.829 -179.425 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -61.62 -24.08 66.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.391 . . . . 0.0 110.462 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -70.02 -61.78 1.64 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.977 -179.88 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 182' ' ' HIS . . . . . 0.712 ' CD2' ' HE1' ' A' ' 176' ' ' TRP . 3.8 p80 -71.51 -37.35 71.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.92 -179.598 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 183' ' ' SER . . . . . 0.553 ' N ' ' ND1' ' A' ' 182' ' ' HIS . 36.8 m -61.88 -57.7 10.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.6 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -33.63 67.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.509 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -54.43 -57.61 10.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.497 179.924 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 186' ' ' LEU . . . . . 0.475 HD11 HH21 ' A' ' 128' ' ' ARG . 40.3 mt -65.43 -47.32 76.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.651 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.13 -39.12 63.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.647 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -63.46 -48.17 80.73 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 189' ' ' ARG . . . . . 0.56 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 2.2 ttt180 -52.32 -57.46 9.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 0.0 110.585 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.507 HD12 HG12 ' A' ' 152' ' ' ILE . 1.0 OUTLIER -45.18 -55.2 6.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.428 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -50.95 -31.74 18.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.477 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 192' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -65.38 -40.12 93.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.545 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 193' ' ' ILE . . . . . 0.508 ' N ' HD12 ' A' ' 193' ' ' ILE . 1.7 mp -68.98 -37.56 77.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.542 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 60.2 mt . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.641 -179.965 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.89 0.376 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.5 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 7.0 mp -95.2 172.99 7.78 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.228 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -68.66 147.01 52.49 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.459 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.7 OUTLIER -70.36 146.73 94.62 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.556 -179.487 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.418 ' O ' ' OG1' ' A' ' 19' ' ' THR . 85.7 Cg_exo -39.41 -49.09 3.2 Favored 'Trans proline' 0 N--CA 1.488 1.202 0 C-N-CA 122.251 1.967 . . . . 0.0 111.992 179.575 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -67.86 -47.91 67.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.043 -179.689 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.3 mm -54.53 -37.72 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.695 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -72.19 -60.96 1.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.734 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.7 OUTLIER -54.81 -28.63 50.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.53 -179.953 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 m -65.79 -52.36 51.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.44 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.55 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 18.8 m120 -57.1 -39.79 75.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.533 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -98.96 31.13 3.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.691 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -71.61 71.64 0.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.447 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 42.21 -137.79 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.429 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.428 ' HA2' ' HE ' ' A' ' 128' ' ' ARG . . . -82.73 137.92 17.42 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.811 HD11 ' HE1' ' A' ' 98' ' ' TRP . 0.7 OUTLIER -136.03 166.91 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 0.0 110.58 -179.865 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -99.59 -29.57 6.93 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 179.809 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.736 ' HE ' ' N ' ' A' ' 29' ' ' HIS . 0.0 OUTLIER -73.35 131.6 42.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 0.0 110.123 179.775 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.736 ' N ' ' HE ' ' A' ' 28' ' ' ARG . 47.4 p-80 -71.65 44.08 0.1 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.339 179.719 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.431 ' H ' ' C ' ' A' ' 28' ' ' ARG . 8.2 tttm -71.46 41.78 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.244 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 29' ' ' HIS . 2.2 p -46.99 114.71 0.9 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.62 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.55 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -106.02 141.9 36.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.39 179.856 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.8 tp -135.58 109.63 8.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.522 -179.489 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.68 113.59 27.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.143 179.423 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 16.6 p90 -102.17 146.81 27.43 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.945 0.403 . . . . 0.0 111.236 -179.495 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.423 ' O ' ' OE2' ' A' ' 38' ' ' GLU . 0.2 OUTLIER -146.72 129.76 16.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.35 179.939 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.6 t -98.57 132.72 43.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-O 121.034 0.445 . . . . 0.0 110.626 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.496 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 0.9 OUTLIER -134.39 121.23 20.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.362 179.799 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -82.79 141.39 32.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.492 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mp -102.04 143.1 32.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.606 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.51 100.77 3.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.611 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.474 ' C ' ' H ' ' A' ' 44' ' ' THR . 11.0 m120 48.14 57.45 6.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.655 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.79 -27.07 0.93 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.474 ' H ' ' C ' ' A' ' 42' ' ' ASN . 0.2 OUTLIER -74.51 103.76 4.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.824 0.345 . . . . 0.0 110.585 -179.959 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.2 m -76.24 143.59 40.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.505 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.1 t -136.27 98.44 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.575 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.4 pttm -75.08 135.13 41.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.493 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.3 mmt -82.33 144.61 30.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.551 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -84.39 -50.52 7.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.684 -179.9 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.62 68.96 4.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.951 179.578 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.408 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 11.5 t-80 -163.88 14.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.513 -179.213 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -100.6 127.96 46.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.642 -179.701 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -148.41 158.21 27.59 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.533 -1.027 . . . . 0.0 110.533 179.839 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.527 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 4.1 p90 -140.65 142.14 35.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.93 0.395 . . . . 0.0 110.846 -179.756 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.2 mt -127.91 178.49 6.14 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.511 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -144.15 155.72 44.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.4 179.859 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.9 t30 . . . . . 0 C--N 1.332 -0.192 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.45 179.956 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.785 0.326 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.19 -27.24 13.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.404 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.434 ' OE2' ' SG ' ' A' ' 106' ' ' CYS . 39.3 mt-10 -63.75 -43.09 97.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.314 179.893 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 39.4 mt -66.69 -57.07 7.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.252 179.698 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -27.22 10.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.163 179.61 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.456 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 31.3 t80 -84.6 -40.16 17.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.379 179.784 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 tp -57.67 -21.1 38.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.472 179.832 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.04 -20.89 37.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.448 179.913 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.626 HD23 ' C ' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -84.17 -33.65 24.16 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.2 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.585 ' N ' HD23 ' A' ' 78' ' ' LEU . 4.6 t -46.17 -59.75 4.46 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.31 -179.836 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 6.5 Cg_endo -49.75 -17.07 1.79 Allowed 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 121.89 1.727 . . . . 0.0 112.229 179.803 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 t -69.73 -30.42 68.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.569 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.557 ' N ' HD22 ' A' ' 82' ' ' LEU . 3.9 mm? -83.77 -39.4 20.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.471 179.695 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 58.45 41.01 23.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.702 -178.806 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.4 mt -38.66 107.23 0.06 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.52 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -41.61 105.28 0.39 Allowed Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.643 -179.711 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -48.11 -19.97 1.95 Allowed 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 121.829 1.686 . . . . 0.0 112.101 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.55 -88.73 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.644 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.607 ' H ' ' CD ' ' A' ' 88' ' ' GLN . 1.1 mp0 -63.58 167.5 5.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.437 -179.86 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.2 mm -84.95 158.13 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.507 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -139.62 177.97 7.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.759 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.496 ' NH1' ' OE1' ' A' ' 38' ' ' GLU . 41.7 ttp85 -156.86 108.81 2.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.527 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.4 t -93.61 118.65 39.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.138 179.565 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.416 ' OG1' ' OE1' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -93.95 122.16 36.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.557 -179.766 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.424 ' CH2' ' CG2' ' A' ' 110' ' ' VAL . 7.2 m0 -106.79 132.26 52.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.707 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.505 ' CG ' ' SG ' ' A' ' 161' ' ' CYS . 53.3 m-85 -125.92 103.14 7.6 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.614 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.37 143.7 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.776 -178.416 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.636 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 19.4 p -96.98 -33.69 11.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.099 179.388 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.811 ' HE1' HD11 ' A' ' 26' ' ' ILE . 7.6 m95 -111.85 136.66 50.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.265 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.03 157.7 1.37 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.916 -179.768 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.34 173.18 14.18 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 122.668 2.246 . . . . 0.0 112.215 179.5 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.629 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 1.8 p -103.49 -153.98 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.452 179.877 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.629 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.2 OUTLIER -36.88 113.02 0.22 Allowed 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.407 0.623 . . . . 0.0 109.932 179.466 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 108' ' ' GLY . 83.9 p -40.24 -24.9 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.907 -179.783 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.47 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.2 OUTLIER -86.1 -24.9 26.09 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.973 -179.109 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.4 -63.73 1.55 Allowed Glycine 0 CA--C 1.526 0.77 0 C-N-CA 120.32 -0.943 . . . . 0.0 110.874 -179.866 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 106' ' ' CYS . . . . . 0.434 ' SG ' ' OE2' ' A' ' 72' ' ' GLU . 2.1 m -78.87 -69.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.37 . . . . 0.0 111.052 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' A' ' 103' ' ' SER . . . -60.26 -22.4 63.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 -179.693 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -71.43 -63.05 3.21 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -46.97 -35.25 6.35 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.716 179.599 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.424 ' CG2' ' CH2' ' A' ' 94' ' ' TRP . 29.3 t -72.83 -56.22 10.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.325 179.522 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -49.09 -53.34 21.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.064 179.813 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.84 -42.07 64.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.135 179.682 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 117' ' ' ASN . 27.8 t80 -65.58 -32.61 74.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.693 179.859 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 mt -71.68 -58.91 3.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.728 -179.837 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -13.57 48.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.643 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -103.21 -26.74 12.87 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.658 179.718 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.623 ' O ' HG12 ' A' ' 120' ' ' VAL . 4.2 m120 -138.11 49.47 1.94 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.865 -179.867 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.2 t -60.95 4.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.31 -179.761 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.523 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.1 OUTLIER -75.58 2.04 12.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.012 0.434 . . . . 0.0 110.16 179.8 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.623 HG12 ' O ' ' A' ' 117' ' ' ASN . 7.7 p -128.86 147.36 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.251 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.03 110.44 21.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.359 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.489 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -92.07 112.18 24.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.5 -179.801 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.489 ' N ' HD13 ' A' ' 122' ' ' LEU . 23.5 mtt-85 -116.21 117.69 30.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.03 179.679 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 5.0 mt -105.19 135.94 41.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.078 -179.368 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -129.13 98.12 4.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.718 179.561 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -82.37 114.84 21.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.985 179.571 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.636 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -82.44 -37.41 25.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.687 -179.737 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.428 ' HE ' ' HA2' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -143.67 145.77 32.71 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.95 179.877 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.6 mt -101.54 110.17 27.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.41 179.833 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -154.96 114.7 3.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.709 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -152.92 -147.04 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.367 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -106.8 -64.38 1.19 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.65 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.47 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.2 OUTLIER -104.0 161.35 23.2 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.463 -179.91 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.481 ' C ' ' H ' ' A' ' 136' ' ' TYR . 41.4 Cg_endo -70.2 17.8 0.22 Allowed 'Trans proline' 0 C--N 1.31 -1.492 0 C-N-CA 122.559 2.172 . . . . 0.0 111.9 179.835 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.627 HD13 ' HA ' ' A' ' 102' ' ' PHE . 1.3 mt -53.97 -7.41 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.625 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.481 ' H ' ' C ' ' A' ' 134' ' ' PRO . 0.5 OUTLIER -61.13 -32.04 71.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.659 179.924 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -70.28 -62.13 1.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.518 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.472 ' HB3' HD23 ' A' ' 135' ' ' LEU . 27.5 tt0 -50.12 -23.62 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.348 179.868 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -75.02 -43.49 53.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.424 179.78 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.58 HD23 ' O ' ' A' ' 140' ' ' LEU . 0.8 OUTLIER -59.31 -30.74 68.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.254 179.74 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.72 -56.27 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.664 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -31.57 66.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.607 -179.852 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 40.7 tp -82.09 -40.94 21.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.468 -179.853 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.32 -38.31 58.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.518 179.898 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -64.33 -8.2 12.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.559 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -95.31 -13.45 24.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.623 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 97.7 -26.96 21.03 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -42.16 139.43 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.67 0.271 . . . . 0.0 110.637 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -93.68 112.64 24.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.638 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.34 109.88 30.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.554 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.69 161.91 36.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.554 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.52 ' N ' HD12 ' A' ' 152' ' ' ILE . 1.5 mp -82.21 137.9 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.462 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 22.5 mmm -41.42 125.26 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.7 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 67.4 p -106.78 152.87 23.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.562 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -41.79 -54.15 3.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.507 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.04 -60.14 3.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.506 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -53.17 -31.17 41.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.539 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.86 -61.37 2.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.516 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -42.27 -47.8 4.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.103 -179.799 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 160' ' ' HIS . . . . . 0.598 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.58 -58.02 4.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.192 -179.432 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.598 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 7.9 t -54.23 -23.54 15.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.639 -179.78 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 162' ' ' TRP . . . . . 0.634 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 4.1 t-105 -72.09 -70.15 0.35 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.552 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 163' ' ' ASP . . . . . 0.634 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.6 OUTLIER -61.48 -36.28 80.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.889 0.376 . . . . 0.0 110.782 -179.736 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 94.3 m -59.18 -27.04 65.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.268 -179.586 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -121.34 15.69 11.35 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.533 -179.374 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.567 HG12 ' N ' ' A' ' 168' ' ' HIS . 63.2 t -130.05 138.98 52.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.894 0.378 . . . . 0.0 111.002 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -76.78 34.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.173 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.592 ' CD2' ' N ' ' A' ' 169' ' ' GLN . 21.1 p-80 -37.48 -44.04 0.63 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.547 -179.805 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 169' ' ' GLN . . . . . 0.592 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 8.9 mm100 40.58 21.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.923 179.881 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 170' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 168' ' ' HIS . . . 136.63 14.31 0.91 Allowed Glycine 0 CA--C 1.528 0.887 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.706 179.706 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 171' ' ' CYS . . . . . 0.421 ' H ' ' HB2' ' A' ' 168' ' ' HIS . 1.2 m -125.26 81.05 64.12 Favored Pre-proline 0 C--N 1.332 -0.174 0 CA-C-O 120.697 0.284 . . . . 0.0 110.297 179.825 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -51.83 172.33 0.14 Allowed 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.712 2.275 . . . . 0.0 112.316 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -53.51 149.74 7.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.747 -179.881 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -113.96 87.13 12.22 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.717 -179.709 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -79.65 131.34 9.25 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 C-N-CA 122.096 1.864 . . . . 0.0 112.051 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 14.8 p90 -100.88 173.69 6.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.6 -179.875 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -77.0 93.0 3.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.519 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 148.15 -18.12 1.36 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.6 tp -47.0 -35.01 6.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 110.556 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -59.36 2.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.535 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -46.32 -53.53 10.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.648 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -55.9 -47.41 77.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.599 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.62 -36.95 72.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.589 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -68.58 -34.15 75.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.633 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -62.8 -65.21 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.593 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 186' ' ' LEU . . . . . 0.546 ' N ' HD12 ' A' ' 186' ' ' LEU . 10.4 mp -56.14 -45.6 79.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.568 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 49.0 m -55.85 -39.25 71.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.466 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -63.21 -36.65 93.71 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 10.2 ttt85 -60.23 -61.65 2.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.332 . . . . 0.0 110.496 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.7 tt -47.28 -47.38 25.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.563 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -50.7 -42.26 56.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.593 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -59.19 -52.0 67.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 193' ' ' ILE . . . . . 0.502 ' N ' HD12 ' A' ' 193' ' ' ILE . 1.7 mp -53.97 -49.89 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.446 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.564 -179.986 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.71 ' C ' HD23 ' A' ' 12' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.813 0.34 . . . . 0.0 110.558 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.872 HD23 ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -106.05 175.24 5.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.778 -179.754 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 35.6 mtm -60.5 165.32 3.8 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.54 -179.154 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.48 155.6 51.13 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.706 -179.381 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.428 ' O ' ' OG1' ' A' ' 19' ' ' THR . 74.1 Cg_exo -39.73 -55.54 1.63 Allowed 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 122.576 2.184 . . . . 0.0 112.435 179.704 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -62.79 -54.31 40.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.272 -179.474 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.3 mm -48.5 -29.94 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.631 -179.565 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -81.1 -57.73 3.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.693 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.514 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -51.33 -49.1 62.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.495 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -63.86 -43.65 95.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.514 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.623 HD21 ' CB ' ' A' ' 32' ' ' TYR . 16.5 t30 -64.44 -23.61 67.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.506 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -118.5 15.33 13.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.421 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.514 ' N ' ' O ' ' A' ' 19' ' ' THR . 0.7 OUTLIER -56.64 108.17 0.46 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.657 -179.952 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -43.97 137.45 3.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.608 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.27 96.74 0.09 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 pt -140.31 171.59 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 110.595 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -158.95 61.54 0.31 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.526 ' O ' ' CZ2' ' A' ' 98' ' ' TRP . 0.1 OUTLIER -140.37 152.42 45.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.521 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -91.07 81.02 5.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.434 179.903 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.3 tttm -167.03 42.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.513 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.416 HG22 ' CG ' ' A' ' 57' ' ' ASN . 10.9 t -46.5 150.97 0.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.993 -179.837 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.623 ' CB ' HD21 ' A' ' 21' ' ' ASN . 1.2 m-85 -108.05 147.46 31.13 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.422 179.722 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.628 ' C ' HD23 ' A' ' 33' ' ' LEU . 5.6 tt -136.84 114.33 10.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.493 -179.889 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.523 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -105.32 110.46 22.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.229 179.59 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.56 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 5.7 p90 -101.08 134.41 44.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.065 -179.722 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 1.8 tm-20 -123.51 152.86 41.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.057 179.855 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.661 HG21 ' CE1' ' A' ' 51' ' ' HIS . 30.2 t -119.4 123.21 70.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.871 0.367 . . . . 0.0 110.767 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -133.39 121.89 22.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.425 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -98.11 144.84 27.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.61 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.57 HD11 ' HD3' ' A' ' 91' ' ' ARG . 22.8 mt -93.98 156.88 16.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.577 179.925 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -155.83 101.63 2.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.497 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 62.71 23.37 13.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.547 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 99.39 -6.85 59.58 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.5 m -91.61 124.38 35.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.763 0.316 . . . . 0.0 110.613 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.418 ' O ' ' OG ' ' A' ' 45' ' ' SER . 1.4 p -89.13 110.32 21.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.55 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 57.6 t -105.02 112.14 37.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.599 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -86.71 134.94 33.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.6 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.2 mtm -101.96 141.09 35.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.529 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.8 -50.28 6.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.574 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -79.25 53.25 1.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.449 179.856 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.661 ' CE1' HG21 ' A' ' 37' ' ' VAL . 37.0 t-80 -169.18 46.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.528 -179.873 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.44 170.84 21.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.689 -179.882 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -173.3 -170.8 37.29 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.826 -0.909 . . . . 0.0 110.826 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -151.97 139.66 19.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.808 0.337 . . . . 0.0 110.729 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mp -136.15 174.23 10.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.529 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.567 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -131.05 157.63 42.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.483 179.898 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.482 ' HB3' ' HB2' ' A' ' 71' ' ' ALA . 4.1 p-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.545 -179.912 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.853 0.359 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.482 ' HB2' ' HB3' ' A' ' 57' ' ' ASN . . . -82.02 -37.96 25.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.572 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -61.48 -42.32 98.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.584 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.0 mp -62.05 -60.01 4.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.221 179.8 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.92 -28.14 6.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.977 179.652 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.56 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 17.3 t80 -80.74 -38.23 29.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.323 179.757 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.1 tp -57.66 -22.88 48.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.007 179.678 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -67.25 -16.07 64.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.686 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.9 tt -93.72 -13.4 27.5 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.56 -178.953 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.542 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -60.22 -42.87 91.82 Favored Pre-proline 0 CA--C 1.533 0.307 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.256 -179.105 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 23.5 Cg_exo -60.31 -25.73 80.95 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.215 1.943 . . . . 0.0 112.031 179.811 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.73 -9.16 41.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.819 -179.931 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.519 HD22 ' NE2' ' A' ' 51' ' ' HIS . 8.5 mt -104.39 -49.56 3.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.481 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.5 49.76 8.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.722 179.752 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 53.6 mt -53.66 133.24 41.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.488 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.75 160.35 27.56 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.397 -179.818 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -70.08 -2.07 9.79 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.533 2.156 . . . . 0.0 112.269 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.61 -37.99 1.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.588 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -151.98 -166.91 2.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.592 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.4 mt -99.55 155.98 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.062 0.458 . . . . 0.0 110.796 -179.859 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -137.01 154.06 50.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.726 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.57 ' HD3' HD11 ' A' ' 40' ' ' LEU . 25.3 mtm180 -142.66 106.06 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.65 -179.872 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.7 t -89.1 127.17 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.049 179.568 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.0 119.23 37.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.794 -179.715 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.537 ' CD1' HD21 ' A' ' 122' ' ' LEU . 16.4 m0 -100.35 131.71 46.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.057 0.456 . . . . 0.0 110.535 179.891 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -123.38 103.11 8.28 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.638 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.32 142.23 23.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.673 -178.343 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.584 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 0.3 OUTLIER -87.94 -24.21 23.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.698 179.105 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.526 ' CZ2' ' O ' ' A' ' 28' ' ' ARG . 19.4 m95 -112.24 -178.32 3.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.191 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.622 ' HB3' HG23 ' A' ' 129' ' ' ILE . 0.0 OUTLIER -105.97 164.4 15.06 Favored Pre-proline 0 C--N 1.332 -0.178 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.548 179.95 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.43 ' O ' ' O ' ' A' ' 99' ' ' SER . 57.0 Cg_exo -42.45 172.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 122.605 2.203 . . . . 0.0 112.3 179.601 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -126.08 -50.95 1.55 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.402 179.837 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 105' ' ' GLY . 2.1 t80 -139.36 105.49 5.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.118 179.656 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.885 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 36.8 t -42.08 -33.71 0.62 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.974 -179.578 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -84.78 -22.99 29.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.102 -179.612 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -84.76 -62.2 1.71 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -67.04 0.54 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.714 0.292 . . . . 0.0 110.743 -179.883 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.885 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -53.27 -29.19 31.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.694 -179.868 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.49 -60.97 7.6 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 105' ' ' GLY . 2.0 mp0 -51.98 -59.75 3.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.836 0.351 . . . . 0.0 110.576 -179.932 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 40.7 t -52.46 -55.6 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.675 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 53.2 ttt-85 -42.33 -59.07 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.573 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -44.94 -47.03 11.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.553 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 117' ' ' ASN . 1.1 t80 -55.54 -62.36 1.73 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.604 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 62.9 mt -46.37 -50.24 16.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.741 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -46.66 -43.42 17.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.688 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.13 16.92 21.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.921 -179.888 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' A' ' 113' ' ' PHE . 29.2 m120 -148.22 31.1 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.803 179.878 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -45.68 -22.93 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.607 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.692 ' CD2' HG23 ' A' ' 120' ' ' VAL . 0.0 OUTLIER -76.23 8.91 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.991 0.424 . . . . 0.0 110.38 179.812 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.692 HG23 ' CD2' ' A' ' 119' ' ' HIS . 43.1 t -132.09 116.43 29.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.428 179.833 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.3 147.07 23.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.549 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.537 HD21 ' CD1' ' A' ' 94' ' ' TRP . 0.6 OUTLIER -130.38 112.59 13.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.979 -179.701 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.502 ' C ' HD12 ' A' ' 124' ' ' ILE . 0.1 OUTLIER -95.61 123.2 39.05 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.241 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.502 HD12 ' C ' ' A' ' 123' ' ' ARG . 1.6 mp -104.92 129.03 58.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.828 -179.29 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.52 ' CE1' ' OE1' ' A' ' 157' ' ' GLU . 64.8 m-85 -125.37 108.13 11.37 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.907 179.783 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -93.79 109.49 21.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.077 179.418 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.584 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -76.97 -54.21 6.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.042 -179.562 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.62 ' CA ' ' HE ' ' A' ' 128' ' ' ARG . 0.0 OUTLIER -118.87 164.37 15.53 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.882 0.372 . . . . 0.0 110.73 -179.881 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.622 HG23 ' HB3' ' A' ' 99' ' ' SER . 18.1 mt -137.89 112.68 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.613 -179.88 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -151.95 110.08 3.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.632 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.426 ' OD2' ' O ' ' A' ' 133' ' ' ASP . 12.4 p-10 -172.36 142.3 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.591 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -80.41 10.17 4.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.477 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.503 ' C ' ' H ' ' A' ' 135' ' ' LEU . 1.0 OUTLIER -121.07 81.93 36.44 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.497 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.524 ' O ' ' N ' ' A' ' 136' ' ' TYR . 52.0 Cg_exo -51.45 -4.76 0.1 OUTLIER 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 122.502 2.135 . . . . 0.0 112.325 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.503 ' H ' ' C ' ' A' ' 133' ' ' ASP . 2.6 mt -40.43 -22.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.677 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' A' ' 134' ' ' PRO . 0.0 OUTLIER -42.99 -33.45 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.584 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -56.06 -62.13 1.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.455 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -50.92 -32.67 21.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.275 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 136' ' ' TYR . . . -65.47 -41.0 93.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.431 179.854 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 140' ' ' LEU . 1.0 OUTLIER -57.72 -47.1 83.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.413 179.78 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.98 -41.39 64.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.542 179.89 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.0 -31.41 71.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.461 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.9 mt -69.68 -56.94 5.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.634 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 16.3 mtp85 -45.16 -50.59 11.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.577 -179.833 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -52.88 -33.25 49.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.583 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.84 -17.92 60.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.613 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 100.42 -23.66 35.01 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -52.62 155.98 2.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.331 . . . . 0.0 110.668 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -98.9 135.81 39.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.496 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 3.2 t -126.77 123.56 63.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.589 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.15 162.01 41.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.581 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 3.3 mm -89.8 134.06 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.495 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.551 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 9.3 ttt -54.32 118.73 4.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.603 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 29.5 p -102.02 163.81 12.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.67 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -47.08 -47.99 22.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.644 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -53.32 -56.84 13.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.513 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 157' ' ' GLU . . . . . 0.52 ' OE1' ' CE1' ' A' ' 125' ' ' PHE . 22.4 mt-10 -54.29 -35.23 62.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.562 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.551 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.7 OUTLIER -63.82 -39.93 95.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.526 179.916 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -59.0 -49.59 77.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 160' ' ' HIS . . . . . 0.523 ' CD2' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.63 -51.15 37.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.508 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.523 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 7.4 t -58.71 -23.53 59.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.682 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 162' ' ' TRP . . . . . 0.63 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 3.6 t-105 -72.46 -68.21 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.684 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 163' ' ' ASP . . . . . 0.63 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 1.3 p30 -64.34 -14.15 54.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.268 -179.465 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 99.9 m -86.61 -24.36 25.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.422 -179.396 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -121.08 15.96 11.58 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.551 0.215 . . . . 0.0 111.202 -179.588 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.528 ' C ' ' H ' ' A' ' 168' ' ' HIS . 92.1 t -134.46 127.47 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.748 179.44 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 167' ' ' ASP . . . . . 0.488 ' C ' ' H ' ' A' ' 169' ' ' GLN . 14.2 t70 -70.21 41.97 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.896 179.102 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.603 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.4 OUTLIER -54.12 -8.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.224 -179.953 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 169' ' ' GLN . . . . . 0.488 ' H ' ' C ' ' A' ' 167' ' ' ASP . 2.6 mt-30 56.9 3.64 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.821 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 170' ' ' GLY . . . . . 0.603 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 124.52 28.3 1.2 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 179.681 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 171' ' ' CYS . . . . . 0.541 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.0 OUTLIER -109.64 127.71 26.69 Favored Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.764 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -75.96 171.99 17.12 Favored 'Trans proline' 0 N--CA 1.493 1.47 0 C-N-CA 121.802 1.668 . . . . 0.0 112.162 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.5 ' O ' ' CD2' ' A' ' 173' ' ' PHE . 0.4 OUTLIER -126.45 116.71 21.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.423 179.867 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 174' ' ' GLN . . . . . 0.402 ' O ' ' CE1' ' A' ' 173' ' ' PHE . 12.3 mm-40 -82.77 152.73 66.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.23 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.13 155.78 63.93 Favored 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 122.142 1.895 . . . . 0.0 112.081 179.903 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 176' ' ' TRP . . . . . 0.462 ' O ' ' N ' ' A' ' 178' ' ' GLY . 14.8 p90 -100.0 142.8 30.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.552 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -49.59 91.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.533 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 176' ' ' TRP . . . 156.66 -35.46 0.58 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 179' ' ' LEU . . . . . 0.566 HD23 ' O ' ' A' ' 179' ' ' LEU . 1.0 OUTLIER -42.7 -43.28 3.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 110.514 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -55.38 -57.05 13.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.536 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -65.41 -60.64 2.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.488 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -44.37 -43.74 7.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.524 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 27.3 t -55.99 -51.55 67.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.67 -30.02 67.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.507 179.914 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -75.15 -64.91 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.511 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 4.0 mt -57.55 -59.99 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.498 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 3.6 t -52.9 -53.06 54.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.443 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -54.05 -25.66 32.26 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -68.87 -61.58 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 110.502 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.7 tp -55.47 -21.7 17.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.567 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -76.91 -40.02 48.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.609 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -68.21 -55.14 13.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.514 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 193' ' ' ILE . . . . . 0.456 HG23 ' N ' ' A' ' 194' ' ' LEU . 5.9 tt -56.99 -39.22 64.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.547 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 194' ' ' LEU . . . . . 0.456 ' N ' HG23 ' A' ' 193' ' ' ILE . 1.8 tp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.535 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.837 0.351 . . . . 0.0 110.695 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.506 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 6.9 mp -94.69 168.8 10.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.247 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.2 mtm -63.29 132.91 53.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.106 179.555 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.63 144.0 66.37 Favored Pre-proline 0 CA--C 1.536 0.412 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.43 -179.428 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.401 ' O ' ' OG1' ' A' ' 19' ' ' THR . 72.1 Cg_exo -40.42 -55.13 2.0 Allowed 'Trans proline' 0 N--CA 1.491 1.354 0 C-N-CA 122.151 1.901 . . . . 0.0 112.284 179.684 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -58.57 -50.98 71.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.997 -179.561 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.3 mm -48.93 -55.33 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.679 -179.754 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 28.7 t80 -51.23 -57.68 8.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.618 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -55.35 -64.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.73 -179.729 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.44 -28.04 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.749 -179.843 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.429 ' OD1' ' CD1' ' A' ' 32' ' ' TYR . 2.9 t30 -83.19 -36.18 24.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.616 -179.901 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -100.76 16.76 23.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.618 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' THR . 22.3 p-10 -63.6 101.15 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.556 179.915 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -41.35 132.48 2.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.587 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.43 25.89 7.15 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.08 177.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.809 0.337 . . . . 0.0 110.611 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.409 ' H ' ' CD ' ' A' ' 28' ' ' ARG . . . 166.7 56.62 0.03 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.793 ' H ' ' HE ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -155.64 150.11 26.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.647 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -56.58 82.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.538 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 28' ' ' ARG . 1.9 ttpt -157.1 26.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.589 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.82 HG22 ' CD2' ' A' ' 98' ' ' TRP . 11.1 p -47.16 135.38 10.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.76 -179.905 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.429 ' CD1' ' OD1' ' A' ' 21' ' ' ASN . 2.7 m-85 -108.56 144.97 35.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.668 179.878 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 34' ' ' CYS . 10.0 tp -139.73 112.19 7.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.326 -179.933 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.404 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -108.39 122.92 47.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.293 179.635 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.495 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 14.7 p90 -113.05 137.7 51.03 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.805 -179.653 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -123.11 154.95 37.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.473 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.641 HG21 ' CE1' ' A' ' 51' ' ' HIS . 54.7 t -127.63 122.03 58.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 179.862 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.759 ' OE2' HD12 ' A' ' 40' ' ' LEU . 3.1 tm-20 -131.55 132.59 44.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.351 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.427 ' O ' ' OE2' ' A' ' 38' ' ' GLU . 55.5 ttp180 -87.94 132.7 34.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.716 -179.729 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.759 HD12 ' OE2' ' A' ' 38' ' ' GLU . 1.2 mp -88.42 122.71 32.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.426 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.69 106.13 5.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.608 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.479 ' C ' ' H ' ' A' ' 44' ' ' THR . 88.8 m-20 49.16 52.12 14.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.69 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.17 -27.02 1.0 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.479 ' H ' ' C ' ' A' ' 42' ' ' ASN . 1.2 m -72.38 115.27 11.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.761 0.315 . . . . 0.0 110.461 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.92 111.27 23.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 46' ' ' VAL . 25.1 m -101.58 105.48 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.546 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -74.53 140.4 44.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.513 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.2 mmt -89.68 150.74 22.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.619 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -93.93 -50.15 5.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.547 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -103.1 76.33 1.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.458 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.641 ' CE1' HG21 ' A' ' 37' ' ' VAL . 55.1 t-80 -171.52 -3.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.516 -179.879 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.416 ' H ' ' H ' ' A' ' 51' ' ' HIS . 8.8 ptt180 -101.66 170.8 7.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.53 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -171.78 -178.46 42.12 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.502 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 8.1 p90 -152.14 146.18 25.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 0.0 110.749 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mp -133.67 178.41 6.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.458 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.629 ' C ' ' HB2' ' A' ' 71' ' ' ALA . 3.3 p80 -146.5 147.23 30.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.706 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.485 ' N ' ' HB2' ' A' ' 71' ' ' ALA . 6.9 m-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.636 -179.905 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.478 ' NE2' HD12 ' A' ' 73' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.87 0.366 . . . . 0.0 110.782 . . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.629 ' HB2' ' C ' ' A' ' 56' ' ' HIS . . . -64.24 -31.03 72.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.633 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.434 ' OE1' ' SG ' ' A' ' 101' ' ' CYS . 15.5 mt-10 -42.39 -37.87 1.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.071 -179.684 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.478 HD12 ' NE2' ' A' ' 70' ' ' HIS . 1.1 mt -64.92 -55.81 17.04 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.385 -179.761 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -44.18 -42.59 6.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.403 -179.912 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.495 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 56.2 t80 -58.37 -56.27 24.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.126 179.704 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -53.94 -19.92 5.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.37 179.533 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.14 -46.76 27.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.588 -179.357 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 pp -84.85 -9.12 58.45 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.873 -179.59 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.421 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 2.6 t -55.97 -55.91 36.24 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.234 179.746 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 20.3 Cg_endo -61.45 -17.59 54.48 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 121.471 1.448 . . . . 0.0 111.913 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.4 p -64.86 -13.68 57.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.684 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.509 HD22 ' NE2' ' A' ' 51' ' ' HIS . 12.2 mt -82.37 -20.7 36.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.445 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.76 35.73 0.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 179.75 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.0 mt -60.22 149.55 32.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.379 179.848 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.01 162.71 52.55 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.571 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.85 -6.14 18.51 Favored 'Trans proline' 0 N--CA 1.493 1.5 0 C-N-CA 122.548 2.165 . . . . 0.0 112.008 179.832 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.01 -74.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.592 -179.854 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -106.77 167.4 9.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.557 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.3 mm -89.17 155.27 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.668 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -141.34 168.13 20.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.62 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -132.6 112.34 11.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.573 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.425 ' HB ' HD22 ' A' ' 122' ' ' LEU . 94.1 t -96.36 113.24 30.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.268 179.846 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.4 m -104.53 119.75 39.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.782 -179.819 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 27.6 m0 -100.61 131.07 46.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.002 0.43 . . . . 0.0 110.506 179.733 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.487 ' CG ' ' SG ' ' A' ' 161' ' ' CYS . 4.9 m-85 -118.58 103.14 9.44 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.308 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.42 140.94 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.76 -177.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.629 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 2.8 p -92.44 -22.79 19.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.93 179.106 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.82 ' CD2' HG22 ' A' ' 31' ' ' THR . 12.8 m95 -111.05 152.41 26.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.488 -179.628 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.675 ' OG ' HG23 ' A' ' 129' ' ' ILE . 0.6 OUTLIER -60.64 160.64 18.04 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.47 179.932 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -67.82 129.11 19.07 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.401 2.067 . . . . 0.0 112.175 179.788 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.541 ' O ' ' N ' ' A' ' 103' ' ' SER . 0.5 OUTLIER -79.79 -164.04 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.272 179.932 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.507 ' O ' ' N ' ' A' ' 104' ' ' TRP . 0.1 OUTLIER -40.24 91.91 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 121.464 0.65 . . . . 0.0 110.008 -179.829 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.868 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 0.6 OUTLIER -39.42 -23.87 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.041 -179.403 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.507 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -69.11 -35.54 76.55 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.585 -178.742 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -71.24 -62.45 3.5 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 120.302 -0.952 . . . . 0.0 110.841 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.53 -68.44 0.62 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.521 0.201 . . . . 0.0 111.472 -179.628 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.868 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -49.08 -32.78 10.32 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.27 -179.213 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.34 -62.95 4.04 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.472 ' OE2' HD21 ' A' ' 73' ' ' LEU . 3.1 mm-40 -53.65 -34.27 58.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.978 0.418 . . . . 0.0 110.019 179.7 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 69.8 t -71.07 -46.34 67.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.217 179.563 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -49.75 -59.12 4.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.949 179.732 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.54 -40.7 62.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.106 179.614 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.53 ' O ' ' ND2' ' A' ' 117' ' ' ASN . 7.9 t80 -54.17 -56.07 21.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.305 179.731 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.7 mp -59.89 -48.95 79.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.429 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -46.7 -29.29 1.82 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.17 179.823 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -110.36 -9.29 14.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.994 -179.837 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.576 ' O ' HG22 ' A' ' 120' ' ' VAL . 13.3 m-80 -139.83 47.57 1.83 Allowed 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.008 -179.725 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.18 1.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.868 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.459 ' H ' ' C ' ' A' ' 117' ' ' ASN . 5.4 p80 -84.36 15.72 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.616 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 117' ' ' ASN . 5.2 m -136.63 143.83 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.539 179.685 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.72 148.6 22.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.169 179.944 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.425 HD22 ' HB ' ' A' ' 92' ' ' VAL . 0.2 OUTLIER -130.73 112.53 13.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.579 -179.664 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.494 ' NH1' ' OE1' ' A' ' 149' ' ' GLN . 4.5 mtm-85 -115.17 128.87 56.46 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.335 179.815 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 37.8 mm -105.76 125.39 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.967 -179.605 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -120.48 103.45 9.19 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.549 179.213 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -93.58 110.13 21.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.244 179.759 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.629 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -80.86 -55.79 4.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.874 -179.722 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.632 ' CA ' ' HE ' ' A' ' 128' ' ' ARG . 0.0 OUTLIER -118.98 151.67 37.76 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.771 0.319 . . . . 0.0 110.517 -179.944 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.675 HG23 ' OG ' ' A' ' 99' ' ' SER . 51.5 mt -114.13 109.1 27.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.607 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -142.42 115.45 8.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.507 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -169.06 158.21 8.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.605 -179.887 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.18 -24.04 32.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.522 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 135' ' ' LEU . 0.7 OUTLIER -135.02 73.31 66.04 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.389 179.942 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -49.82 77.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 123.002 2.468 . . . . 0.0 112.541 -179.85 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 133' ' ' ASP . 1.4 pp -93.22 4.83 53.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.385 179.747 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.512 ' CG ' ' N ' ' A' ' 137' ' ' LYS . 25.1 p90 -44.52 -46.18 9.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.564 -179.799 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.512 ' N ' ' CG ' ' A' ' 136' ' ' TYR . 0.8 OUTLIER -42.4 -42.81 3.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 0.0 110.182 179.82 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.07 -39.78 75.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.445 179.761 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.27 -45.24 94.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.538 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.523 ' HG ' HG21 ' A' ' 150' ' ' VAL . 7.7 mp -55.3 -55.03 36.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.494 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -64.9 -58.46 6.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.577 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -34.98 12.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.645 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.527 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 40.6 tp -81.43 -34.16 31.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.493 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 12.1 ttp85 -51.62 -40.96 60.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.518 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -71.16 3.5 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.619 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 143' ' ' LEU . . . -99.36 -24.07 14.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.659 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 97.62 24.83 11.49 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.479 ' HB3' ' HG ' ' A' ' 143' ' ' LEU . . . -97.63 177.18 5.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.681 0.277 . . . . 0.0 110.582 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 149' ' ' GLN . . . . . 0.494 ' OE1' ' NH1' ' A' ' 123' ' ' ARG . 11.0 mt-30 -123.1 136.2 54.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.54 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 150' ' ' VAL . . . . . 0.523 HG21 ' HG ' ' A' ' 140' ' ' LEU . 23.0 m -132.03 128.7 59.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.639 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.5 t -153.27 162.04 41.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.547 179.904 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.1 tp -88.29 142.45 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.438 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.586 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 35.4 ttm -44.2 151.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.575 -179.913 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 6.0 p -132.31 171.17 14.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.579 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -64.63 -53.55 45.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.666 -179.912 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -51.54 -49.16 62.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.501 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -61.13 -36.24 79.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.645 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.586 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.1 OUTLIER -56.87 -40.98 77.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.715 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.87 -42.71 80.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.825 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 160' ' ' HIS . . . . . 0.489 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.5 OUTLIER -67.49 -57.93 5.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.702 -179.913 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.489 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 1.2 t -56.32 -23.59 38.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.906 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 162' ' ' TRP . . . . . 0.621 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.4 t-105 -71.76 -70.42 0.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.939 -179.62 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 163' ' ' ASP . . . . . 0.621 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.2 OUTLIER -61.86 -14.4 33.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.277 -179.52 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 96.8 m -83.47 -28.22 28.9 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.21 -179.533 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -121.07 18.67 11.65 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.129 -179.619 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.62 HG21 ' CE3' ' A' ' 162' ' ' TRP . 74.9 t -130.58 145.65 35.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.951 179.665 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -73.27 35.48 0.08 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 178.701 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.717 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 1.1 t60 -43.38 -60.45 1.71 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.947 -179.849 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 169' ' ' GLN . . . . . 0.627 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 83.9 mt-30 42.67 15.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.08 179.633 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 170' ' ' GLY . . . . . 0.717 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 143.54 0.9 1.09 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 179.88 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 171' ' ' CYS . . . . . 0.62 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 0.9 OUTLIER -113.69 88.54 13.95 Favored Pre-proline 0 CA--C 1.533 0.295 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.797 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -78.59 143.92 19.43 Favored 'Trans proline' 0 C--N 1.314 -1.276 0 C-N-CA 122.074 1.849 . . . . 0.0 112.407 -179.205 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.507 ' CE1' ' O ' ' A' ' 174' ' ' GLN . 1.1 t80 -86.07 125.85 33.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.622 -179.891 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 174' ' ' GLN . . . . . 0.507 ' O ' ' CE1' ' A' ' 173' ' ' PHE . 22.4 mt-30 -93.91 156.31 39.41 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -70.06 162.9 40.48 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.324 2.016 . . . . 0.0 112.127 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 176' ' ' TRP . . . . . 0.434 ' CD1' ' C ' ' A' ' 176' ' ' TRP . 12.3 p90 -120.5 152.93 37.36 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.41 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 177' ' ' ASP . . . . . 0.5 ' N ' ' OD1' ' A' ' 177' ' ' ASP . 0.8 OUTLIER -57.84 91.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.506 -179.942 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 139.27 -14.12 3.26 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.2 tt -54.11 -37.7 64.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.32 . . . . 0.0 110.585 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.94 -57.31 3.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.619 -179.89 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -50.41 -50.51 51.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.644 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -54.8 -62.97 1.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.628 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 3.4 m -49.07 -45.6 43.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.572 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -62.65 -31.61 72.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.621 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -70.32 -65.1 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.581 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 2.6 mt -47.34 -48.29 25.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.589 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 10.8 p -53.37 -50.75 64.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.624 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -50.01 -41.95 38.28 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 189' ' ' ARG . . . . . 0.49 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 0.0 OUTLIER -61.82 -61.56 2.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.546 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.1 tp -49.34 -51.22 35.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.459 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 13.3 mmt85 -51.47 -34.15 34.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.44 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 192' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -63.08 -48.84 76.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.479 179.903 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 193' ' ' ILE . . . . . 0.525 ' N ' HD12 ' A' ' 193' ' ' ILE . 1.7 mp -60.17 -36.81 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.476 179.915 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.568 179.953 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.668 ' C ' HD23 ' A' ' 12' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.736 0.303 . . . . 0.0 110.402 . . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.896 HD23 ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -104.34 173.21 6.4 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -179.636 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.3 ptp -61.9 162.89 8.34 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.363 -179.294 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.79 157.57 60.42 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.312 -178.843 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.437 ' O ' ' OG1' ' A' ' 19' ' ' THR . 53.5 Cg_exo -44.04 -56.42 2.49 Favored 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 122.564 2.176 . . . . 0.0 112.72 179.568 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -52.02 60.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.082 -179.263 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.2 mm -48.79 -42.95 13.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.624 -179.714 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -70.95 -60.92 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -47.92 -57.96 5.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.422 -179.933 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.427 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 2.2 t -52.1 -36.24 50.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.479 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.623 ' ND2' ' CG ' ' A' ' 32' ' ' TYR . 9.0 t30 -80.66 -9.1 59.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.533 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -133.23 24.52 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.682 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.507 ' N ' ' O ' ' A' ' 19' ' ' THR . 14.8 p-10 -65.09 109.78 2.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.506 179.887 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -42.34 128.06 3.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.514 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.66 108.48 0.54 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -147.12 -166.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 110.637 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -177.59 -14.79 0.02 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.456 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 0.0 OUTLIER -176.36 120.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 0.0 110.578 179.949 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.456 ' CG ' ' O ' ' A' ' 28' ' ' ARG . 12.4 m80 -164.47 -82.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.505 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -179.74 104.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.519 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.752 HG22 ' CG ' ' A' ' 98' ' ' TRP . 35.6 p -47.17 139.89 5.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.878 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.623 ' CG ' ' ND2' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -120.6 149.09 43.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.403 179.908 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.0 tp -143.27 111.84 6.38 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.659 -179.801 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.21 115.72 31.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.998 179.271 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.425 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 28.9 p90 -108.64 148.9 29.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.002 0.43 . . . . 0.0 111.276 -179.316 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -135.95 160.04 39.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.1 179.403 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.736 HG21 ' ND1' ' A' ' 51' ' ' HIS . 11.6 t -126.71 126.45 68.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.571 -179.891 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -139.61 134.05 31.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.695 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -103.05 142.13 34.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.331 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 mp -101.23 140.57 35.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.714 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -146.44 100.46 3.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.467 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.5 m120 57.36 35.39 25.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.549 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.47 -5.67 82.49 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.3 m -90.91 102.53 15.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.765 0.316 . . . . 0.0 110.585 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 75.0 m -89.5 107.45 19.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.594 179.935 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 40.7 t -100.13 125.06 53.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.643 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.33 137.8 32.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.494 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.8 mtm -101.4 136.05 41.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.702 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.21 -50.35 8.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.608 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.66 65.91 9.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.352 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.852 ' HE2' HD22 ' A' ' 82' ' ' LEU . 5.0 t-80 -170.29 -9.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.437 -179.623 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.2 170.94 7.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.746 -179.88 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.425 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . 179.71 -172.24 43.93 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 11.3 p90 -147.5 142.41 26.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.788 0.328 . . . . 0.0 110.786 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.7 mt -128.47 178.44 6.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.517 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -149.33 161.82 41.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.504 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.5 t30 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.611 179.99 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.404 ' ND1' ' N ' ' A' ' 70' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.811 0.339 . . . . 0.0 110.553 . . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.56 -28.96 67.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.433 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -62.33 -50.48 71.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.612 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 22.5 mt -63.7 -51.82 63.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.585 -179.921 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.8 ttt85 -55.2 -36.22 65.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.666 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -70.91 -50.64 32.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.715 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.6 tp -64.59 -19.73 65.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -33.15 69.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.289 -179.495 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.664 ' C ' HD12 ' A' ' 78' ' ' LEU . 3.7 pp -101.39 8.06 42.39 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.921 -0.311 . . . . 0.0 111.046 -179.597 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.569 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -63.58 -41.58 67.04 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.808 179.854 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 27.4 Cg_exo -59.08 -17.69 39.62 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.212 1.941 . . . . 0.0 111.774 179.877 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.4 p -62.56 -9.01 7.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.675 -179.901 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.852 HD22 ' HE2' ' A' ' 51' ' ' HIS . 20.3 mt -95.26 -46.16 6.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.287 -179.824 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 72.36 47.5 0.27 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.705 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.402 HD13 ' CD2' ' A' ' 90' ' ' TYR . 17.2 mt -64.6 127.71 32.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.314 179.714 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.31 160.48 27.43 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.634 -179.777 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -71.51 -11.97 28.84 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.611 2.208 . . . . 0.0 112.09 179.832 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.82 -35.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.616 -179.871 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -138.5 171.39 14.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.481 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.737 ' N ' HD12 ' A' ' 89' ' ' ILE . 1.7 mp -90.19 147.21 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.419 179.929 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.402 ' CD2' HD13 ' A' ' 84' ' ' LEU . 36.3 m-85 -124.37 156.72 36.57 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.51 179.904 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -146.55 102.07 3.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.538 -179.853 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.3 t -92.68 133.42 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.459 179.932 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.56 117.8 34.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.571 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.571 ' CD1' HD21 ' A' ' 122' ' ' LEU . 17.8 m0 -100.19 132.61 45.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.062 0.458 . . . . 0.0 110.414 179.838 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.582 ' CE2' ' SG ' ' A' ' 161' ' ' CYS . 49.7 m-85 -126.0 103.02 7.52 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 178.555 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.08 143.21 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.086 -177.871 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.67 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 6.3 p -95.89 -26.96 15.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.473 178.889 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.752 ' CG ' HG22 ' A' ' 31' ' ' THR . 13.6 m95 -111.99 132.06 55.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.992 179.702 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.9 OUTLIER -57.34 141.73 77.27 Favored Pre-proline 0 CA--C 1.537 0.475 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.42 -179.559 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.423 ' O ' ' O ' ' A' ' 99' ' ' SER . 50.3 Cg_exo -43.27 173.06 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.387 0 C-N-CA 122.027 1.818 . . . . 0.0 112.384 179.733 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.572 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 26.3 p -107.04 -119.41 0.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.994 179.454 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.572 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.2 OUTLIER -70.19 108.54 4.19 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.87 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.712 ' OG ' ' HB2' ' A' ' 139' ' ' ALA . 71.7 m -40.74 -27.23 0.05 Allowed 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.159 -179.426 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.406 ' N ' ' O ' ' A' ' 102' ' ' PHE . 4.1 t90 -85.57 -23.83 27.47 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.783 -179.418 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.36 -63.15 1.59 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 179.784 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.43 -69.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.734 0.302 . . . . 0.0 111.018 -179.876 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -59.3 -42.12 90.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.845 -179.551 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -53.5 -45.01 67.52 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.868 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -69.43 -26.2 64.49 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.752 -179.926 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 66.6 t -81.97 -63.57 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.94 -36.0 7.15 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.658 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.73 -47.35 63.38 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.411 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -45.79 -39.7 8.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.022 179.401 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.458 ' C ' ' N ' ' A' ' 116' ' ' GLU . 10.4 mp -72.45 -51.15 21.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.143 179.562 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -46.74 -17.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.026 179.577 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.458 ' N ' ' C ' ' A' ' 114' ' ' LEU . 2.2 tp10 -106.82 -32.4 7.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.71 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.553 ' O ' HG12 ' A' ' 120' ' ' VAL . 8.9 m-80 -138.28 59.35 1.65 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.769 -179.788 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.35 1.55 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.055 -179.874 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.489 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -76.23 5.75 6.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.762 0.315 . . . . 0.0 110.638 -179.944 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 117' ' ' ASN . 13.1 p -130.94 132.08 63.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.547 179.791 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -91.6 144.0 25.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.4 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.571 HD21 ' CD1' ' A' ' 94' ' ' TRP . 0.8 OUTLIER -131.44 122.98 27.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.887 -179.833 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.455 ' C ' HD12 ' A' ' 124' ' ' ILE . 8.5 mtp85 -112.26 123.73 50.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.23 179.626 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.477 ' N ' HD12 ' A' ' 124' ' ' ILE . 1.7 mp -105.56 127.47 60.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.653 -179.609 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -121.52 98.22 5.87 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.604 179.786 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.51 111.82 11.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.248 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.67 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -85.39 -46.95 10.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.647 -179.801 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.491 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -132.14 142.02 49.34 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.845 0.355 . . . . 0.0 110.658 179.948 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.445 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 0.3 OUTLIER -98.41 132.89 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.529 179.944 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.445 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 0.2 OUTLIER 177.77 116.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.658 179.993 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.475 ' C ' ' H ' ' A' ' 133' ' ' ASP . 0.4 OUTLIER -177.94 136.32 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.511 179.948 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -70.32 10.1 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.527 179.911 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.501 ' C ' ' H ' ' A' ' 135' ' ' LEU . 21.6 m-20 -120.63 81.12 32.11 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.663 -179.932 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.505 ' C ' ' H ' ' A' ' 136' ' ' TYR . 51.8 Cg_exo -49.47 -6.69 0.07 OUTLIER 'Trans proline' 0 N--CA 1.493 1.468 0 C-N-CA 122.476 2.118 . . . . 0.0 112.273 -179.858 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.501 ' H ' ' C ' ' A' ' 133' ' ' ASP . 3.4 mp -54.9 -5.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.651 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.505 ' H ' ' C ' ' A' ' 134' ' ' PRO . 44.9 t80 -41.95 -32.32 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.894 0.378 . . . . 0.0 110.556 -179.922 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -68.46 -61.55 1.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.352 179.81 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -47.88 -30.29 4.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.389 179.732 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.712 ' HB2' ' OG ' ' A' ' 103' ' ' SER . . . -69.16 -46.76 66.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.306 179.881 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.0 tp -52.01 -40.35 60.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.381 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -77.79 -42.2 34.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.479 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.76 -27.21 62.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.503 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 146' ' ' ALA . 6.4 mt -81.39 -49.23 10.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.672 -179.899 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -45.34 -43.05 10.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.542 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -66.63 -23.44 66.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.526 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -82.51 -22.84 34.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.529 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 101.65 -15.5 57.12 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -58.26 156.02 10.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.855 0.36 . . . . 0.0 110.57 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -97.14 134.77 40.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.622 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -132.03 115.2 26.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.552 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.4 t -153.07 162.28 41.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.619 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.486 ' N ' HD12 ' A' ' 152' ' ' ILE . 1.6 mp -84.6 133.88 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.41 179.936 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.541 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 2.6 ttt -41.23 130.59 2.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.728 -179.845 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.28 164.56 11.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.642 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 155' ' ' TYR . . . . . 0.429 ' C ' ' CD1' ' A' ' 155' ' ' TYR . 29.4 t80 -52.9 -52.13 58.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.711 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.88 -61.04 2.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.759 -179.843 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -56.23 -48.47 76.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.705 -179.848 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.541 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 0.2 OUTLIER -41.49 -38.65 1.34 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.797 -179.873 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -74.54 -60.89 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.796 -179.614 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 160' ' ' HIS . . . . . 0.434 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -47.3 -49.55 23.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.844 -179.73 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.582 ' SG ' ' CE2' ' A' ' 95' ' ' PHE . 0.8 OUTLIER -65.16 -50.29 66.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.811 -179.766 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 162' ' ' TRP . . . . . 0.618 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 2.8 t-105 -43.64 -65.66 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 -179.568 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 163' ' ' ASP . . . . . 0.618 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -62.09 -49.67 75.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.125 -179.511 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 96.9 m -55.02 -16.86 3.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.518 -179.232 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -121.28 18.65 11.48 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.562 -179.543 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.709 ' C ' HD12 ' A' ' 12' ' ' LEU . 24.8 t -146.18 138.9 20.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.115 179.649 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.85 39.54 0.07 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.155 0.502 . . . . 0.0 109.688 178.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.561 ' CD2' ' N ' ' A' ' 169' ' ' GLN . 32.6 p-80 -44.74 -51.35 9.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.468 -179.703 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 169' ' ' GLN . . . . . 0.561 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 43.9 mm-40 40.34 32.6 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.533 -179.904 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 142.0 0.35 1.48 Allowed Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 171' ' ' CYS . . . . . 0.431 ' H ' ' HB2' ' A' ' 168' ' ' HIS . 6.2 m -115.19 82.55 9.12 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.578 0.189 . . . . 0.0 110.589 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -78.0 152.86 28.48 Favored 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.211 1.941 . . . . 0.0 112.357 -179.491 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -62.72 149.7 43.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.965 -179.699 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -140.99 148.09 50.63 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.026 179.658 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -73.14 134.04 20.55 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 122.046 1.831 . . . . 0.0 112.127 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -97.17 -173.69 2.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.382 179.781 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -88.14 86.73 7.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.584 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 146.24 -9.95 1.52 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.0 tt -51.12 -30.39 16.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 110.465 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -76.58 -61.4 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.553 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -51.92 -52.37 50.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.487 -179.869 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 17.2 m80 -53.47 -56.06 20.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.536 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 38.7 t -50.72 -49.86 56.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.577 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -56.97 -33.69 67.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.52 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -67.85 -63.46 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.558 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 186' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 186' ' ' LEU . 9.6 mp -57.26 -59.1 5.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.556 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 1.5 t -50.0 -36.11 27.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.526 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -62.45 -45.39 96.0 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -55.29 -57.76 10.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 110.531 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.414 HD13 ' CD1' ' A' ' 152' ' ' ILE . 2.0 tp -48.96 -49.06 42.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.458 179.929 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -45.74 -49.3 14.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.566 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -56.2 -52.07 65.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.555 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 77.0 mt -60.1 -63.19 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.516 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.517 -179.999 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.783 0.325 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.478 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 6.2 mp -98.56 172.98 7.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.149 -179.895 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.4 mtm -63.04 132.13 50.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.173 179.815 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.12 143.16 79.23 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.349 -179.603 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.432 ' O ' ' OG1' ' A' ' 19' ' ' THR . 87.0 Cg_exo -39.51 -55.46 1.58 Allowed 'Trans proline' 0 N--CA 1.489 1.25 0 C-N-CA 122.148 1.898 . . . . 0.0 112.386 179.775 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -57.97 -54.27 48.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.723 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.0 mm -48.88 -43.16 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.755 -179.768 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -66.84 -61.08 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -53.75 -64.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.679 -179.854 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 t -42.43 -61.19 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.733 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.453 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 22.1 t-20 -50.73 -36.73 37.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.655 -179.838 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -100.87 16.5 24.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.454 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' A' ' 19' ' ' THR . 3.0 t30 -42.25 112.78 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.51 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -40.48 93.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.586 -179.929 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 23' ' ' ASN . . . 106.42 108.67 3.32 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.918 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.452 ' C ' HD12 ' A' ' 26' ' ' ILE . 1.2 pp -133.82 -174.88 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-O 120.706 0.288 . . . . 0.0 110.511 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.92 16.26 0.03 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.778 ' H ' ' NE ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -103.18 144.41 31.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.469 179.978 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -66.62 79.59 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.452 179.866 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -163.33 39.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.637 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.731 HG22 ' CD2' ' A' ' 98' ' ' TRP . 1.7 p -47.02 157.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.055 -179.888 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.453 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.4 OUTLIER -127.14 143.93 51.15 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.386 179.66 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.62 HD23 ' N ' ' A' ' 34' ' ' CYS . 5.1 tt -137.06 118.09 14.32 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.318 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.62 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -107.19 122.08 45.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.575 179.919 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 22.7 p90 -109.17 141.83 40.83 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 -179.772 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.429 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 1.9 tm-20 -144.26 129.16 18.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.19 179.804 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.429 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 0.5 OUTLIER -98.36 137.47 25.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.095 0.474 . . . . 0.0 110.94 -179.698 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.43 ' OE1' ' OG1' ' A' ' 93' ' ' THR . 2.5 mp0 -135.75 129.13 32.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.176 179.737 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -94.22 140.65 29.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.623 -179.761 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.72 HD12 HG21 ' A' ' 89' ' ' ILE . 59.5 mt -100.12 149.4 23.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.559 179.803 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.88 104.56 3.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.616 -179.874 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 55.18 24.94 6.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.59 179.85 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.91 -24.0 31.98 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 89.3 m -68.74 127.89 34.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 110.516 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.59 118.99 32.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.641 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.1 t -121.59 102.66 12.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.47 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -77.17 146.32 37.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.596 -179.84 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -92.15 144.84 25.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.754 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.64 -50.39 5.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.453 179.862 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.08 66.02 7.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.173 179.608 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.782 ' NE2' HD12 ' A' ' 82' ' ' LEU . 57.8 t-80 -171.17 13.2 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.403 -179.418 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -100.98 143.02 31.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.598 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -161.89 172.46 38.05 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.512 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 1.9 p90 -145.59 147.26 31.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.845 0.355 . . . . 0.0 110.645 -179.92 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.427 HD22 ' O ' ' A' ' 54' ' ' PHE . 2.2 mm? -119.21 178.4 4.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.322 179.896 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 40.4 p-80 -130.88 153.08 49.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.577 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.728 -179.972 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.622 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.098 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.16 -39.3 1.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.553 -179.554 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -63.97 -39.31 93.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.482 179.808 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 70' ' ' HIS . 74.2 mt -72.2 -40.47 67.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.653 -179.875 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -49.98 62.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.556 -179.86 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.419 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 14.4 t80 -66.27 -37.15 84.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.575 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.71 -19.92 62.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.465 179.888 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -78.24 -23.36 47.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.246 -179.552 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 pp -114.31 9.04 16.88 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.721 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.578 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.1 t -60.05 -41.15 83.29 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.647 179.74 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 14.8 Cg_exo -66.14 -17.32 54.61 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.415 2.077 . . . . 0.0 111.938 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.6 t -59.18 -27.6 65.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.606 -179.933 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.782 HD12 ' NE2' ' A' ' 51' ' ' HIS . 3.6 mm? -71.85 -39.32 69.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.473 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.482 ' CB ' ' O ' ' A' ' 82' ' ' LEU . 3.8 tt0 80.61 45.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.967 -179.37 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.5 mt -38.08 155.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.264 -179.687 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.552 ' O ' ' NE2' ' A' ' 88' ' ' GLN . 0.6 OUTLIER -122.54 85.44 48.51 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.106 179.822 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -46.88 -8.71 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 122.3 2.0 . . . . 0.0 112.47 -179.683 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 85' ' ' ASP . . . -45.57 -23.77 0.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.53 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.552 ' NE2' ' O ' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -142.03 -170.65 3.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.704 -179.965 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.72 HG21 HD12 ' A' ' 40' ' ' LEU . 1.7 mp -90.77 144.07 9.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.588 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -133.55 161.3 34.99 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.592 179.658 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -142.73 109.68 5.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.434 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.503 ' O ' HD23 ' A' ' 122' ' ' LEU . 5.9 t -88.95 116.12 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.467 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.43 ' OG1' ' OE1' ' A' ' 38' ' ' GLU . 1.3 m -92.55 116.4 28.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.601 -179.872 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 15.7 m0 -100.34 133.14 45.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.455 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.548 ' CZ ' ' SG ' ' A' ' 161' ' ' CYS . 67.6 m-85 -126.18 102.87 7.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 178.675 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.59 140.53 26.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.012 0.434 . . . . 0.0 111.842 -178.22 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.664 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 1.7 p -94.05 -28.95 15.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.923 179.102 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.731 ' CD2' HG22 ' A' ' 31' ' ' THR . 17.8 m95 -112.23 132.92 54.65 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.46 179.815 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.13 162.32 0.51 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.249 179.507 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -67.4 144.52 67.93 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.537 2.158 . . . . 0.0 112.233 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.43 -83.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.55 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -101.14 93.16 5.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.303 0.573 . . . . 0.0 109.483 179.431 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.496 ' HB3' ' HB2' ' A' ' 139' ' ' ALA . 21.3 p -45.06 -27.72 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.14 -179.203 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -85.55 -22.13 28.24 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.651 -0.419 . . . . 0.0 111.417 -179.369 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.37 -63.58 1.56 Allowed Glycine 0 CA--C 1.526 0.724 0 C-N-CA 120.362 -0.923 . . . . 0.0 111.182 -179.695 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.04 -69.05 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.912 -179.855 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -55.07 -27.38 44.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.461 -179.831 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.6 -54.25 27.01 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 109.89 -1.284 . . . . 0.0 109.89 179.201 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -55.3 -31.52 61.69 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.151 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 53.0 t -72.05 -49.47 43.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.922 179.317 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -46.24 -58.89 3.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.887 179.501 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.18 -43.34 64.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.084 179.536 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.401 ' O ' ' N ' ' A' ' 117' ' ' ASN . 2.9 t80 -48.19 -55.02 11.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.331 179.679 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.445 ' C ' ' N ' ' A' ' 116' ' ' GLU . 10.6 mp -60.86 -56.69 18.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.373 179.895 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -46.55 -17.6 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.221 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.445 ' N ' ' C ' ' A' ' 114' ' ' LEU . 37.5 tt0 -110.36 -21.46 12.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.936 -179.891 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.467 ' C ' ' N ' ' A' ' 119' ' ' HIS . 21.0 m120 -132.7 46.1 2.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.941 -179.638 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.9 t -45.65 -16.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.666 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.593 ' CD2' HG23 ' A' ' 120' ' ' VAL . 0.0 OUTLIER -76.21 6.63 5.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.315 179.857 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.593 HG23 ' CD2' ' A' ' 119' ' ' HIS . 39.9 t -125.0 122.25 62.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.299 179.766 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -91.27 148.38 22.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.309 179.944 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 92' ' ' VAL . 0.8 OUTLIER -131.3 128.11 39.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.075 -179.537 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -118.52 117.62 29.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.893 179.262 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 5.5 mt -105.9 127.65 60.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.046 -179.33 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -123.57 107.67 11.79 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.356 179.661 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -83.15 112.29 19.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.492 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.664 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -82.58 -46.54 13.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.433 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.667 ' NH2' HD11 ' A' ' 186' ' ' LEU . 0.0 OUTLIER -132.11 144.61 50.83 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.491 179.773 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.486 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 0.2 OUTLIER -104.29 112.21 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.624 -179.806 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.486 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 24.5 m-85 -155.6 123.51 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.666 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 1.0 OUTLIER -162.86 -173.7 3.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.473 -179.942 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -90.56 -66.04 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.558 -179.903 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.491 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.1 OUTLIER -96.81 161.15 27.48 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.44 -179.886 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -69.8 25.16 0.18 Allowed 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.512 2.141 . . . . 0.0 112.088 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.491 ' H ' ' C ' ' A' ' 133' ' ' ASP . 6.1 mt -62.77 -7.26 4.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.559 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.553 ' CG ' ' N ' ' A' ' 137' ' ' LYS . 2.8 p90 -57.45 -39.73 76.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.627 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.553 ' N ' ' CG ' ' A' ' 136' ' ' TYR . 18.7 tttt -70.04 -43.32 71.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 -179.89 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -52.91 -35.05 57.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.531 -179.863 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.496 ' HB2' ' HB3' ' A' ' 103' ' ' SER . . . -72.43 -50.99 22.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.608 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.9 mt -44.55 -48.47 10.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.39 179.871 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -70.52 -53.59 15.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.466 179.809 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -48.16 -28.55 3.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.513 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.698 HD12 ' HB3' ' A' ' 148' ' ' ALA . 1.8 mm? -74.08 -54.12 8.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.425 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.84 -34.71 2.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.535 179.926 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.56 -25.28 49.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.59 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -81.29 -23.94 37.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.621 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 84.61 76.96 1.18 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 148' ' ' ALA . . . . . 0.698 ' HB3' HD12 ' A' ' 143' ' ' LEU . . . -150.36 172.65 15.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.765 0.317 . . . . 0.0 110.49 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 34.8 tp60 -100.47 112.28 24.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.723 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 2.6 m -119.1 113.74 42.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.43 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 74.1 p -153.23 162.34 41.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.828 -179.789 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.2 tp -80.07 134.56 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.326 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 20.7 mmm -41.23 130.26 2.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.744 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.34 159.33 16.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.434 179.867 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -50.77 -48.62 59.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.58 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.88 -60.74 2.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.594 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.12 -57.76 4.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.574 -179.919 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -42.6 -47.03 5.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.608 -179.93 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -53.79 -48.55 69.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.743 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 160' ' ' HIS . . . . . 0.611 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.41 -57.41 5.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.719 -179.767 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.611 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 0.1 OUTLIER -53.71 -23.49 11.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.654 -179.924 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 162' ' ' TRP . . . . . 0.613 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 6.5 t-105 -74.24 -70.55 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 -179.742 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 163' ' ' ASP . . . . . 0.613 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -62.69 -14.17 40.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.093 -179.609 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 98.8 m -84.42 -27.3 27.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.1 -179.665 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 165' ' ' PHE . . . . . 0.59 ' CE1' ' SG ' ' A' ' 34' ' ' CYS . 47.8 m-85 -121.33 18.75 11.43 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.259 -179.584 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.579 HG21 ' CE3' ' A' ' 162' ' ' TRP . 70.7 t -129.47 145.89 35.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.785 0.326 . . . . 0.0 111.171 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 167' ' ' ASP . . . . . 0.4 ' OD1' ' OE1' ' A' ' 169' ' ' GLN . 44.6 t0 -75.97 37.91 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.241 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.749 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.6 OUTLIER -37.86 -59.11 0.86 Allowed 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.698 -179.331 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 169' ' ' GLN . . . . . 0.628 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 2.2 mp0 40.47 18.89 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.003 -179.844 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 170' ' ' GLY . . . . . 0.749 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 142.64 -0.13 1.4 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 179.736 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 171' ' ' CYS . . . . . 0.612 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 1.0 OUTLIER -115.0 87.01 14.45 Favored Pre-proline 0 CA--C 1.531 0.236 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.686 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -80.82 161.9 21.25 Favored 'Trans proline' 0 C--N 1.314 -1.275 0 C-N-CA 122.262 1.975 . . . . 0.0 112.869 -178.747 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -52.2 139.74 22.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.586 179.872 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -122.33 84.64 47.01 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.71 -179.786 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -49.67 134.06 33.29 Favored 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.247 1.964 . . . . 0.0 112.098 -179.865 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 176' ' ' TRP . . . . . 0.472 ' O ' ' N ' ' A' ' 178' ' ' GLY . 8.4 p90 -102.44 144.87 30.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.569 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 177' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 177' ' ' ASP . 0.9 OUTLIER -53.38 87.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.576 -179.915 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 178' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 176' ' ' TRP . . . 158.8 -29.87 0.44 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 179' ' ' LEU . . . . . 0.406 ' CD1' ' CZ2' ' A' ' 176' ' ' TRP . 1.8 tp -50.33 -29.78 10.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 110.55 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -71.46 -62.3 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.578 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -54.36 -50.9 66.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.597 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -51.14 -59.72 3.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.547 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 25.9 t -52.86 -33.25 48.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.564 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.76 -52.81 63.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.565 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -55.33 -54.36 44.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.593 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 186' ' ' LEU . . . . . 0.667 HD11 ' NH2' ' A' ' 128' ' ' ARG . 46.3 mt -55.45 -50.23 70.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.526 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 20.1 p -59.24 -37.73 78.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.523 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -53.6 -49.0 59.31 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 8.5 mtm-85 -61.92 -54.05 47.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.602 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.73 -44.91 6.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.367 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -65.33 -38.15 89.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.591 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -52.76 -42.12 64.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.677 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 193' ' ' ILE . . . . . 0.553 ' N ' HD12 ' A' ' 193' ' ' ILE . 1.7 mp -70.65 -46.92 67.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.667 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 179.959 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.462 ' C ' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.737 0.303 . . . . 0.0 110.416 . . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.872 HD22 ' N ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -108.66 161.34 15.18 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.99 -179.9 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -78.4 166.14 22.98 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.278 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -83.12 147.85 54.97 Favored Pre-proline 0 C--N 1.328 -0.357 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.492 -179.697 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.424 ' O ' ' OG1' ' A' ' 19' ' ' THR . 75.2 Cg_exo -40.21 -53.19 2.65 Favored 'Trans proline' 0 N--CA 1.489 1.22 0 C-N-CA 122.219 1.946 . . . . 0.0 112.102 179.661 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.488 ' ND1' ' OG ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -60.8 -52.47 64.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.049 -179.631 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.403 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 2.9 mm -48.65 -33.73 5.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.513 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -82.42 -61.15 1.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.716 -179.899 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.6 OUTLIER -50.33 -26.5 4.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.599 -179.875 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.488 ' OG ' ' ND1' ' A' ' 16' ' ' HIS . 42.7 m -78.37 -53.52 7.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.483 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.676 ' ND2' ' CE1' ' A' ' 32' ' ' TYR . 76.2 m-20 -69.03 0.36 4.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.488 -179.935 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -133.1 8.75 4.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.467 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 24' ' ' ASN . 0.1 OUTLIER -77.13 115.93 17.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.62 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.44 ' OD1' ' CE2' ' A' ' 176' ' ' TRP . 0.5 OUTLIER -42.24 165.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.554 179.962 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.06 58.26 11.31 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.9 pt -72.01 -177.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 110.571 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.92 31.34 0.02 OUTLIER Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.471 ' O ' ' CZ2' ' A' ' 98' ' ' TRP . 0.2 OUTLIER -137.29 169.39 17.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.714 0.292 . . . . 0.0 110.444 -179.95 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -112.34 84.36 1.96 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.539 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -171.58 48.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.597 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.9 t -46.98 162.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.24 -179.83 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.676 ' CE1' ' ND2' ' A' ' 21' ' ' ASN . 1.0 OUTLIER -115.24 145.03 42.83 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.37 179.67 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.636 ' C ' HD23 ' A' ' 33' ' ' LEU . 5.7 tt -137.64 119.68 15.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.56 -179.726 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.612 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -113.67 133.9 55.05 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.317 179.626 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.569 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 30.4 p90 -122.8 134.68 54.41 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.728 -179.802 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -129.7 137.51 50.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.258 179.74 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -95.84 136.02 28.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 121.012 0.434 . . . . 0.0 110.545 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -140.3 118.07 11.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.521 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.585 HH12 ' CB ' ' A' ' 88' ' ' GLN . 11.6 ttm-85 -79.86 132.24 36.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.259 179.727 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.8 mt -98.73 121.72 41.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.507 -179.761 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -138.67 102.42 4.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.523 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 t30 61.69 25.23 15.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.556 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.62 -17.29 58.6 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.8 m -75.73 117.03 17.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.34 . . . . 0.0 110.581 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.03 108.82 21.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.646 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.0 t -101.23 111.6 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.548 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.412 ' NZ ' ' CB ' ' A' ' 47' ' ' LYS . 6.0 ttpm? -84.95 137.92 32.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.582 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.7 mtt -97.99 154.74 17.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.707 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.1 -50.38 4.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.853 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -91.83 70.95 5.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.598 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.518 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 39.3 t-80 -173.76 -13.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.453 -179.735 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.411 ' H ' ' HG2' ' A' ' 52' ' ' ARG . 36.0 ptt85 -100.82 170.79 8.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.601 -179.909 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -172.2 -163.38 25.98 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.457 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 12.4 p90 -155.66 163.16 40.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.657 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 mt -146.32 177.72 8.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.511 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.424 ' ND1' ' N ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -140.29 148.91 42.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.586 179.967 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.5 t30 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.602 -179.896 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.814 0.34 . . . . 0.0 110.652 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -47.77 -22.96 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.452 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -63.16 -61.88 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.476 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.7 mp -54.86 -47.2 74.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.489 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -58.64 -40.06 82.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.542 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.569 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 41.9 t80 -73.97 -26.48 60.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.654 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.5 mt -70.65 -26.85 63.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.932 0.396 . . . . 0.0 110.196 179.73 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -74.44 -17.9 60.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.501 179.812 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.7 mt -79.72 -8.45 59.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.653 -179.939 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.2 t -46.22 -60.05 4.11 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.106 -179.833 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.53 -24.64 37.15 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 121.742 1.628 . . . . 0.0 111.778 179.168 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.5 -8.76 55.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.0 mp -105.88 -41.47 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.607 -179.706 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 61.57 51.97 3.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.515 179.84 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.5 mt -47.38 155.95 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.561 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.486 ' C ' ' H ' ' A' ' 87' ' ' ALA . 0.9 OUTLIER -115.99 85.19 14.53 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.602 -179.895 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -48.55 -8.02 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.42 2.08 . . . . 0.0 112.309 -179.877 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.486 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -52.36 -18.75 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.508 179.826 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.585 ' CB ' HH12 ' A' ' 39' ' ' ARG . 1.1 mp0 -144.68 -170.72 3.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.527 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.5 mm -93.8 152.76 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.953 0.406 . . . . 0.0 110.546 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -141.68 172.27 12.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.772 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -154.06 119.67 5.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.427 -179.672 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.32 136.25 44.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.3 179.641 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.3 m -111.47 122.21 47.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.918 -179.552 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -102.01 132.87 47.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.046 179.378 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -120.82 102.91 8.69 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.618 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.03 142.23 27.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.919 -178.029 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.641 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 3.6 p -89.12 -31.63 17.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.38 178.657 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.581 ' CZ3' ' CD1' ' A' ' 130' ' ' TYR . 12.6 m95 -110.59 146.93 35.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.438 179.715 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.4 OUTLIER -69.42 149.86 97.13 Favored Pre-proline 0 CA--C 1.534 0.36 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.743 -179.444 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' A' ' 99' ' ' SER . 51.8 Cg_exo -43.43 173.15 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 122.244 1.962 . . . . 0.0 112.422 179.507 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -112.39 -147.2 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.792 179.396 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.519 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -41.76 100.04 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.266 0.555 . . . . 0.0 109.596 179.373 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.899 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 94.2 p -39.1 -23.98 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.789 -179.91 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.513 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -84.18 -30.99 25.36 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.625 -179.095 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -74.39 -62.11 2.99 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.307 -179.632 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.98 -69.08 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.672 0.273 . . . . 0.0 111.254 -179.557 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.899 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -48.12 -30.21 4.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.904 -179.452 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -66.82 -61.99 4.85 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 179.812 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -54.04 -48.58 70.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.96 0.409 . . . . 0.0 110.333 179.735 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.12 -49.19 85.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.479 179.895 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -47.28 -59.11 3.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.25 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -48.11 -40.55 23.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.356 179.869 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -59.82 -50.34 74.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.618 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 56.8 mt -63.74 -32.77 74.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.534 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -64.82 -29.98 70.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.506 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -110.15 13.58 23.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.058 -179.822 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.516 ' O ' ' N ' ' A' ' 119' ' ' HIS . 0.5 OUTLIER -157.09 29.32 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.994 0.426 . . . . 0.0 110.845 -179.907 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.403 ' C ' ' H ' ' A' ' 120' ' ' VAL . 12.8 t -47.07 -10.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.349 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.524 ' CE1' ' O ' ' A' ' 88' ' ' GLN . 0.1 OUTLIER -75.89 13.54 0.83 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.885 0.374 . . . . 0.0 110.632 -179.934 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 120' ' ' VAL . 2.4 m -134.93 127.0 47.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.457 179.501 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.37 110.85 22.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.151 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 13.3 tp -109.16 112.46 24.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.77 -179.528 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.21 158.06 16.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.146 179.5 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 20.1 mt -126.21 140.01 49.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.917 -179.745 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -124.46 97.98 5.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.513 179.692 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -81.44 111.03 17.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.335 179.855 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.641 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -82.75 -52.05 7.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 -179.653 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.644 ' CA ' ' HE ' ' A' ' 128' ' ' ARG . 0.0 OUTLIER -121.43 162.4 20.51 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 110.637 -179.835 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.46 142.05 42.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.753 -179.883 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.581 ' CD1' ' CZ3' ' A' ' 98' ' ' TRP . 6.1 t80 -97.18 -140.43 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.877 179.148 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -163.93 21.78 0.07 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.638 179.822 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 132' ' ' TYR . . . . . 0.439 ' CG ' ' O ' ' A' ' 132' ' ' TYR . 62.8 t80 -106.83 -1.48 22.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.639 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.471 ' C ' ' H ' ' A' ' 135' ' ' LEU . 16.4 m-20 -137.29 70.04 54.87 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.616 -179.903 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -50.68 -6.74 0.1 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.745 2.297 . . . . 0.0 112.142 179.891 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.471 ' H ' ' C ' ' A' ' 133' ' ' ASP . 5.9 mp -78.4 -3.42 43.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.622 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.592 ' CG ' ' N ' ' A' ' 137' ' ' LYS . 12.6 p90 -42.46 -44.7 4.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.628 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.592 ' N ' ' CG ' ' A' ' 136' ' ' TYR . 13.8 pttp -66.4 -37.54 85.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.579 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -59.64 -49.65 76.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.603 -179.927 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.51 -42.02 81.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.587 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.7 mp -50.93 -58.86 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.571 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -65.57 -46.47 79.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 -179.903 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -44.57 -33.01 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.416 -179.912 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' A' ' 146' ' ' ALA . 1.4 mp -82.32 -45.37 15.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.611 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -45.35 -28.39 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.45 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -83.89 -26.43 29.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.587 179.903 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -77.08 -22.19 53.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.656 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 105.35 -6.67 42.52 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -66.25 -176.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.717 0.294 . . . . 0.0 110.541 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -129.6 136.44 49.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.612 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 2.3 m -132.13 127.33 57.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.546 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.8 m -153.14 162.19 41.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.716 -179.939 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 152' ' ' ILE . . . . . 0.575 HG21 ' OG ' ' A' ' 187' ' ' SER . 1.0 OUTLIER -84.16 134.15 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.529 179.903 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.588 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 10.4 ttt -52.6 134.07 35.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.614 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.51 163.67 12.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.586 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -58.92 -39.64 82.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.695 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -59.69 -58.13 9.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.54 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -53.9 -29.42 41.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.48 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.588 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.3 OUTLIER -65.85 -41.4 91.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.564 179.905 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -61.22 -48.69 80.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.605 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 160' ' ' HIS . . . . . 0.602 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.32 -51.34 38.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.586 -179.931 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.602 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 9.2 t -58.87 -23.65 61.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.67 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 162' ' ' TRP . . . . . 0.627 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 2.7 t-105 -72.32 -66.34 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.796 -179.755 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 163' ' ' ASP . . . . . 0.627 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -64.4 -14.23 55.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.282 -179.457 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 93.9 m -86.39 -22.54 26.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.353 -179.507 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -121.33 18.36 11.44 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.376 -179.449 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.526 ' C ' ' H ' ' A' ' 168' ' ' HIS . 43.5 t -140.74 135.48 34.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.935 0.398 . . . . 0.0 110.687 179.549 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 167' ' ' ASP . . . . . 0.484 ' C ' ' N ' ' A' ' 169' ' ' GLN . 0.6 OUTLIER -70.86 37.43 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.314 -179.964 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.713 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.2 OUTLIER -48.29 -13.61 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.414 -179.959 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 169' ' ' GLN . . . . . 0.484 ' N ' ' C ' ' A' ' 167' ' ' ASP . 4.5 mt-30 41.64 19.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.802 179.802 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 170' ' ' GLY . . . . . 0.713 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 113.64 37.32 1.31 Allowed Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 179.651 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 171' ' ' CYS . . . . . 0.592 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 1.5 m -127.12 80.45 71.55 Favored Pre-proline 0 N--CA 1.463 0.19 0 CA-C-O 120.629 0.252 . . . . 0.0 110.535 179.72 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -52.43 148.33 26.64 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.512 2.141 . . . . 0.0 112.182 179.873 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.46 ' CE1' ' O ' ' A' ' 174' ' ' GLN . 0.1 OUTLIER -99.27 119.12 37.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.409 179.922 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 174' ' ' GLN . . . . . 0.46 ' O ' ' CE1' ' A' ' 173' ' ' PHE . 0.0 OUTLIER -85.38 151.2 55.95 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.388 -179.834 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.56 141.97 35.56 Favored 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.167 1.911 . . . . 0.0 112.015 179.808 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 176' ' ' TRP . . . . . 0.44 ' CE2' ' OD1' ' A' ' 24' ' ' ASN . 2.0 p90 -91.5 178.73 5.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.469 179.862 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.81 92.42 2.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.525 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 147.49 -45.44 0.76 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.5 tp -41.44 -34.22 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 110.63 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.05 -62.66 1.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.658 -179.885 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -59.48 -60.4 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.65 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -42.02 -49.84 4.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.562 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 19.8 m -53.95 -42.25 68.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.564 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -41.82 98.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.652 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -68.02 -54.48 18.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.542 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 9.0 mt -49.47 -54.25 18.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.609 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 187' ' ' SER . . . . . 0.575 ' OG ' HG21 ' A' ' 152' ' ' ILE . 22.6 m -61.0 -46.98 88.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.593 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -49.04 -47.49 32.52 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 189' ' ' ARG . . . . . 0.508 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 49.7 ttm-85 -58.98 -61.6 2.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.809 0.338 . . . . 0.0 110.591 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.9 tp -48.21 -49.1 34.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.501 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -55.37 -30.28 60.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.517 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 192' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -65.79 -50.8 63.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.513 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 193' ' ' ILE . . . . . 0.535 ' N ' HD12 ' A' ' 193' ' ' ILE . 1.7 mp -53.62 -49.33 56.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.565 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 5.7 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.547 179.998 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.441 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.804 0.335 . . . . 0.0 110.486 . . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 166' ' ' VAL . 6.7 mp -99.98 174.65 6.08 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.382 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.519 ' SD ' ' CE1' ' A' ' 54' ' ' PHE . 2.4 tpp -62.06 122.54 15.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.033 179.808 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.12 136.53 28.87 Favored Pre-proline 0 CA--C 1.537 0.446 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.724 -179.241 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.408 ' O ' ' OG1' ' A' ' 19' ' ' THR . 87.0 Cg_exo -40.06 -55.5 1.75 Allowed 'Trans proline' 0 N--CA 1.492 1.391 0 C-N-CA 122.176 1.917 . . . . 0.0 112.402 179.656 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -59.81 -50.1 75.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.277 -179.39 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 mm -48.59 -44.65 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.734 -179.583 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -68.13 -60.95 2.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.609 -179.897 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -50.66 -26.43 5.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.706 -179.78 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.2 t -78.64 -56.51 4.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.507 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.467 ' CG ' ' CE1' ' A' ' 32' ' ' TYR . 6.7 m-80 -63.18 -13.97 43.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.526 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -132.47 32.68 3.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.478 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.49 -3.06 13.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.519 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 61.92 130.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.553 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.715 ' H ' ' NH1' ' A' ' 128' ' ' ARG . . . 100.85 22.65 10.7 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 pp -78.47 -165.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.0 110.62 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 176.45 -24.87 0.06 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -159.17 120.09 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 0.0 110.472 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -175.49 -82.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.63 179.898 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -173.48 108.74 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.762 -179.928 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.734 HG22 ' CG ' ' A' ' 98' ' ' TRP . 47.6 p -47.19 133.97 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.467 ' CE1' ' CG ' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -108.64 140.23 42.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.335 179.817 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.407 HD12 ' N ' ' A' ' 34' ' ' CYS . 9.4 tp -142.09 111.78 6.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.463 -179.887 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.407 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -102.29 147.03 27.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.021 179.407 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -133.19 134.44 44.08 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.992 0.425 . . . . 0.0 111.053 -179.55 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.496 ' OE1' HG21 ' A' ' 164' ' ' THR . 1.6 mt-10 -134.56 132.01 38.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.029 179.589 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -101.0 144.07 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.027 0.441 . . . . 0.0 110.892 -179.679 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -143.87 118.25 9.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.271 179.91 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -86.4 141.02 29.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.713 -179.823 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.609 ' N ' HD22 ' A' ' 40' ' ' LEU . 3.6 mm? -75.01 148.7 39.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.412 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -152.92 96.9 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.571 179.908 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 52.96 49.6 19.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.638 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.03 -6.08 22.45 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 179.878 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.9 m -102.74 117.39 34.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.882 0.373 . . . . 0.0 110.598 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.4 p -78.26 144.91 35.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.429 179.772 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.5 t -136.26 118.18 20.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.677 -179.863 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.79 150.03 28.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.39 179.919 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.43 ' O ' ' NH1' ' A' ' 52' ' ' ARG . 51.5 mtt -97.74 158.9 15.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.721 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -97.02 -50.35 4.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.759 -179.926 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -102.31 76.58 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.456 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.669 ' CE1' HD21 ' A' ' 82' ' ' LEU . 48.8 t-80 -172.94 -10.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.423 -179.721 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.43 ' NH1' ' O ' ' A' ' 48' ' ' MET . 6.0 ptp85 -100.88 171.05 7.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.623 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -176.65 -163.78 29.53 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.519 ' CE1' ' SD ' ' A' ' 13' ' ' MET . 42.3 p90 -165.92 146.57 6.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.904 0.383 . . . . 0.0 110.736 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.802 HD23 ' N ' ' A' ' 55' ' ' LEU . 1.3 pt? -155.4 157.62 37.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.54 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.509 ' N ' ' ND1' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -108.97 170.36 8.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.74 -179.934 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.518 ' N ' ' HB2' ' A' ' 71' ' ' ALA . 30.8 p-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.602 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.836 0.35 . . . . 0.0 110.473 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.518 ' HB2' ' N ' ' A' ' 57' ' ' ASN . . . -77.1 -22.85 52.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.484 179.879 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -56.57 -51.13 69.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.672 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.2 mp -58.65 -56.7 18.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.532 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -59.39 -21.78 60.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.691 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.819 ' O ' HD12 ' A' ' 78' ' ' LEU . 2.0 t80 -80.64 -34.65 34.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.827 -179.817 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.496 HD12 ' OE1' ' A' ' 109' ' ' GLU . 81.1 mt -69.24 -30.46 68.61 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.844 0.354 . . . . 0.0 110.477 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.82 -16.54 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.542 179.778 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.991 HD13 ' N ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -76.99 -14.23 59.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.245 -179.279 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.991 ' N ' HD13 ' A' ' 78' ' ' LEU . 6.4 t -41.29 -60.63 1.68 Allowed Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.683 179.885 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.81 -33.39 50.42 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 121.913 1.742 . . . . 0.0 112.001 179.633 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.71 -8.18 9.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.669 HD21 ' CE1' ' A' ' 51' ' ' HIS . 4.1 mp -113.02 -47.79 3.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.272 -179.12 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 59.3 43.48 16.73 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -178.904 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.5 mt -35.96 155.99 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.476 -179.469 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 87' ' ' ALA . 3.7 m-20 -114.71 86.1 12.43 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.122 179.792 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.428 ' C ' ' N ' ' A' ' 88' ' ' GLN . 79.3 Cg_exo -45.26 -10.53 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 122.317 2.012 . . . . 0.0 112.56 -179.347 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 85' ' ' ASP . . . -47.07 -20.17 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.912 0.387 . . . . 0.0 110.174 179.649 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.428 ' N ' ' C ' ' A' ' 86' ' ' PRO . 1.1 mp0 -141.59 176.8 8.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.247 179.832 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.3 mm -91.65 154.22 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.029 0.442 . . . . 0.0 110.825 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -137.41 165.96 24.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.609 179.892 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -135.63 105.29 6.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.598 -179.884 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.9 t -93.54 117.97 38.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.257 179.846 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.41 119.03 37.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.06 -179.561 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.439 ' CD2' HD11 ' A' ' 122' ' ' LEU . 19.4 m0 -100.69 132.91 45.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.191 179.601 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -125.66 103.33 7.78 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.865 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.89 143.58 22.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.843 -178.275 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.65 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 0.6 OUTLIER -97.08 -22.03 17.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.441 178.721 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 98' ' ' TRP . . . . . 0.734 ' CG ' HG22 ' A' ' 31' ' ' THR . 12.9 m95 -111.94 139.81 47.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.367 179.898 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.5 OUTLIER -67.73 159.57 77.99 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.765 -179.691 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' A' ' 99' ' ' SER . 53.6 Cg_exo -42.49 173.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.314 -1.287 0 C-N-CA 122.648 2.232 . . . . 0.0 112.475 179.53 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -131.26 -54.95 1.03 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.394 179.691 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.517 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -132.29 107.24 8.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.793 179.566 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.528 ' O ' ' N ' ' A' ' 108' ' ' GLY . 82.7 p -43.33 -33.61 1.04 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.938 -179.682 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -84.63 -21.77 30.16 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.995 -179.646 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.86 -63.74 1.52 Allowed Glycine 0 CA--C 1.525 0.698 0 C-N-CA 120.275 -0.964 . . . . 0.0 110.833 179.889 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 106' ' ' CYS . . . . . 0.818 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -79.32 -69.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.765 0.317 . . . . 0.0 111.067 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.55 -24.73 61.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.777 -179.596 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -69.13 -60.11 5.41 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.918 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.496 ' OE1' HD12 ' A' ' 76' ' ' LEU . 5.5 mt-10 -60.12 -20.77 59.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.972 0.415 . . . . 0.0 110.384 179.836 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 106' ' ' CYS . 92.1 t -74.02 -61.92 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.919 -179.905 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.448 ' CG ' ' N ' ' A' ' 112' ' ' ALA . 0.0 OUTLIER -57.07 -42.01 79.84 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.155 -179.743 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.448 ' N ' ' CG ' ' A' ' 111' ' ' ARG . . . -51.8 -54.56 27.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.188 179.635 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 117' ' ' ASN . 5.3 t80 -49.34 -43.62 43.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.199 179.63 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.448 ' C ' ' N ' ' A' ' 116' ' ' GLU . 4.4 mp -65.71 -55.83 15.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.28 179.692 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -46.57 -19.41 0.09 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.05 179.573 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 114' ' ' LEU . 15.1 tt0 -110.04 -23.11 11.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.996 -179.939 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 113' ' ' PHE . 81.2 m-20 -141.7 55.19 1.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.998 -179.708 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.4 ' C ' ' H ' ' A' ' 120' ' ' VAL . 0.1 OUTLIER -53.81 -9.29 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.787 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.499 ' ND1' ' O ' ' A' ' 119' ' ' HIS . 5.0 p80 -76.43 14.15 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.59 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.421 ' CG2' ' CE1' ' A' ' 119' ' ' HIS . 58.5 t -132.34 133.94 59.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.48 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.54 148.34 22.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.514 -179.882 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.439 HD11 ' CD2' ' A' ' 94' ' ' TRP . 0.1 OUTLIER -129.16 112.27 13.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.341 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -114.13 117.93 32.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.961 179.522 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 42.3 mt -105.81 130.77 56.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.302 -179.214 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.413 ' CZ ' ' OE2' ' A' ' 157' ' ' GLU . 87.7 m-85 -121.79 97.82 5.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.225 179.392 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -78.14 108.56 11.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.88 0.371 . . . . 0.0 110.428 -179.873 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.65 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -80.23 -44.6 19.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.73 -179.92 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.715 ' NH1' ' H ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -131.32 145.36 51.83 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.813 0.339 . . . . 0.0 110.588 179.88 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 129' ' ' ILE . . . . . 0.522 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 1.5 mt -102.31 117.05 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.666 -179.894 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.522 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 14.2 m-85 -159.83 115.85 2.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.478 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -139.72 176.82 8.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.532 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -102.26 -13.71 17.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.594 -179.928 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.12 160.83 32.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.518 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.22 7.81 0.77 Allowed 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.517 2.145 . . . . 0.0 112.158 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.19 -17.72 58.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.557 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 136' ' ' TYR . . . . . 0.601 ' CD1' ' N ' ' A' ' 137' ' ' LYS . 0.6 OUTLIER -54.56 -28.74 48.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.599 -179.977 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 137' ' ' LYS . . . . . 0.601 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 25.9 ttmt -63.53 -59.22 4.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.588 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -48.46 -44.18 35.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.519 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -51.17 -55.81 16.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.601 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.4 mp -49.02 -42.89 39.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.537 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.75 -52.75 48.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.537 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 142' ' ' MET . . . . . 0.493 ' SD ' ' O ' ' A' ' 103' ' ' SER . 0.6 OUTLIER -46.87 -27.17 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.544 -179.967 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 146' ' ' ALA . 4.9 mt -82.13 -58.8 2.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.536 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -46.28 -21.99 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.624 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 145' ' ' ASP . . . . . 0.403 ' N ' ' C ' ' A' ' 143' ' ' LEU . 0.8 OUTLIER -85.16 -28.98 25.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.704 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -77.31 -24.09 50.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.567 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 97.52 10.84 52.89 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -76.63 176.1 8.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.728 0.299 . . . . 0.0 110.567 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -105.71 129.24 53.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.58 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 1.1 t -132.14 111.47 18.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.487 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 76.5 p -147.26 162.25 39.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.628 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 2.3 mt -84.94 133.64 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.505 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 153' ' ' MET . . . . . 0.566 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 2.6 ttt -50.11 121.65 5.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.576 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 6.3 p -101.67 -178.6 3.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.561 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -61.32 -55.18 34.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.67 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -50.15 -42.11 50.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.684 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 157' ' ' GLU . . . . . 0.413 ' OE2' ' CZ ' ' A' ' 125' ' ' PHE . 6.3 mm-40 -67.49 -35.48 79.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.578 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.566 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 1.0 OUTLIER -63.1 -45.32 92.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.55 -179.937 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -59.5 -45.39 91.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.608 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 160' ' ' HIS . . . . . 0.614 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -66.92 -57.62 6.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.444 179.891 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.614 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 6.8 t -55.98 -23.54 33.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.719 -179.902 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 162' ' ' TRP . . . . . 0.623 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 7.2 t-105 -73.87 -71.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.01 -179.62 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 163' ' ' ASP . . . . . 0.623 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -62.7 -14.33 42.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.245 -179.627 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 164' ' ' THR . . . . . 0.496 HG21 ' OE1' ' A' ' 36' ' ' GLU . 52.4 m -82.95 -27.28 30.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.238 -179.612 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -121.36 9.68 10.4 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 116.592 -0.277 . . . . 0.0 111.518 -179.436 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.568 ' C ' ' H ' ' A' ' 168' ' ' HIS . 73.1 t -122.2 143.24 35.54 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.298 0 CA-C-O 120.985 0.422 . . . . 0.0 111.217 179.821 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -71.35 36.19 0.05 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.626 178.923 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 168' ' ' HIS . . . . . 0.715 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.7 OUTLIER -43.0 -59.14 2.13 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.794 179.941 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 169' ' ' GLN . . . . . 0.63 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 7.5 mt-30 42.88 15.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.113 179.669 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 170' ' ' GLY . . . . . 0.715 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 144.34 0.4 1.01 Allowed Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 179.784 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 171' ' ' CYS . . . . . 0.624 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 3.9 m -115.32 88.81 19.46 Favored Pre-proline 0 CA--C 1.531 0.228 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.72 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -82.19 149.62 15.34 Favored 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 122.383 2.056 . . . . 0.0 112.371 -179.425 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 173' ' ' PHE . . . . . 0.478 ' CE1' ' O ' ' A' ' 174' ' ' GLN . 0.4 OUTLIER -99.75 118.94 37.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.465 -179.952 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 174' ' ' GLN . . . . . 0.478 ' O ' ' CE1' ' A' ' 173' ' ' PHE . 4.4 mp0 -81.34 155.99 71.53 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.422 -179.936 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -69.0 134.47 29.65 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 C-N-CA 122.288 1.992 . . . . 0.0 112.152 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -74.78 172.63 11.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.468 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.95 102.34 13.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.464 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 137.84 -6.48 3.48 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 179' ' ' LEU . . . . . 0.564 HD23 ' O ' ' A' ' 179' ' ' LEU . 0.9 OUTLIER -54.19 -43.22 70.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.324 . . . . 0.0 110.522 179.982 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -62.92 -62.58 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.589 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -51.48 -57.17 9.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -49.8 -56.02 11.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.602 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 23.5 t -50.14 -47.82 54.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.577 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -60.91 -32.79 72.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.539 -179.931 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -68.77 -55.85 9.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.546 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 26.7 mt -65.01 -57.72 7.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.562 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 59.9 p -46.09 -38.17 7.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.6 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -63.71 -50.03 64.43 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -47.05 -51.61 17.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.834 0.35 . . . . 0.0 110.547 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 190' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 192' ' ' ALA . 0.5 OUTLIER -59.46 -61.86 2.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.614 -179.967 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 1.8 ttm105 -46.55 -16.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.536 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 192' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 190' ' ' LEU . . . -94.32 -52.44 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.717 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.5 tp -62.57 -26.57 40.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.637 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 194' ' ' LEU . . . . . 0.438 HD12 HD22 ' A' ' 190' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.575 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mtt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.18 102.88 1.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.561 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 43.03 -99.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.679 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.44 162.67 10.12 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.475 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -69.21 126.93 14.28 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.561 2.174 . . . . 0.0 112.123 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.6 168.16 20.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.665 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.9 p -104.98 -115.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.532 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 174.39 63.92 0.05 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -76.61 28.96 0.41 Allowed 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.784 2.323 . . . . 0.0 112.197 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.42 ' O ' ' OD1' ' A' ' 167' ' ' ASP . 2.3 mtt85 -77.06 -136.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.52 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.428 ' C ' HD12 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -107.42 73.79 0.93 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.342 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.597 ' N ' HD12 ' A' ' 12' ' ' LEU . 7.0 mp -94.57 174.67 7.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.216 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.501 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -61.7 150.91 35.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.16 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 1.1 m-20 -67.44 147.31 98.83 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.952 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.42 ' O ' ' OG1' ' A' ' 19' ' ' THR . 72.8 Cg_exo -41.1 -46.75 5.23 Favored 'Trans proline' 0 N--CA 1.49 1.32 0 C-N-CA 122.379 2.053 . . . . 0.0 112.395 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.3 -46.7 48.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.351 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 mm -48.47 -39.39 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.587 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.404 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 33.5 t80 -71.66 -56.32 6.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.751 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -54.36 -64.32 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.646 -179.823 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.7 m -46.72 -42.66 17.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.59 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.513 ' OD1' ' CD1' ' A' ' 32' ' ' TYR . 6.6 t30 -62.19 -52.27 64.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.715 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -84.4 17.54 2.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.608 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -50.09 95.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.528 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -46.36 118.26 1.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.59 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.83 68.32 0.79 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 pt -108.12 -165.92 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.848 0.356 . . . . 0.0 110.684 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.92 -27.62 0.02 OUTLIER Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.441 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 0.0 OUTLIER -172.02 120.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.374 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.441 ' CG ' ' O ' ' A' ' 28' ' ' ARG . 14.2 m-70 -164.7 -86.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.548 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -172.94 110.91 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.694 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.7 HG22 ' CG ' ' A' ' 98' ' ' TRP . 44.9 p -47.04 143.35 3.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.754 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.513 ' CD1' ' OD1' ' A' ' 21' ' ' ASN . 0.7 OUTLIER -118.6 142.4 47.67 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.649 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.7 tp -139.15 110.87 7.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.482 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.21 110.25 21.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.253 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.454 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 36.2 p90 -101.3 134.56 44.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -120.65 129.17 53.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.182 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.775 HG11 ' CE1' ' A' ' 51' ' ' HIS . 12.3 t -104.26 131.01 54.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.943 0.401 . . . . 0.0 110.799 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -143.73 152.06 40.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.369 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -107.51 140.54 40.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.431 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 mp -99.21 121.25 40.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.53 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -136.16 102.21 4.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.552 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.474 ' C ' ' H ' ' A' ' 44' ' ' THR . 59.7 t30 52.63 54.69 10.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.532 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.27 -8.88 1.84 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.474 ' H ' ' C ' ' A' ' 42' ' ' ASN . 0.2 OUTLIER -90.57 100.61 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.519 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 m -84.53 117.06 23.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.577 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.2 t -100.77 105.79 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.9 mttp -69.75 126.37 29.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.597 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 6.6 mtt -80.02 147.15 31.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.475 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.68 -50.15 5.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.57 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -102.2 71.65 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.485 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.796 ' NE2' HD22 ' A' ' 82' ' ' LEU . 31.9 t-80 -166.76 -12.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.647 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.586 HH22 HD21 ' A' ' 12' ' ' LEU . 14.2 ptt85 -100.88 170.72 8.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.609 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.454 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . -179.52 -173.32 44.54 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.649 ' O ' HD12 ' A' ' 55' ' ' LEU . 9.2 p90 -144.4 153.32 41.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 0.0 110.703 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.649 HD12 ' O ' ' A' ' 54' ' ' PHE . 3.1 mp -128.42 178.48 6.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.645 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.422 ' O ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -150.86 137.66 18.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.457 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.422 ' O ' ' O ' ' A' ' 56' ' ' HIS . 0.1 OUTLIER -40.81 162.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.662 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.403 ' N ' ' CG ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -155.48 128.35 8.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.642 -179.846 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.29 68.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.531 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -147.49 14.71 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.584 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.461 ' C ' ' H ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -143.24 23.62 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.541 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.81 -1.71 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.678 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.461 ' H ' ' C ' ' A' ' 61' ' ' ASN . 1.6 mm? -87.65 -22.64 24.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.378 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -85.22 8.05 19.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.574 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.29 -17.81 57.37 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -85.09 67.01 10.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.741 0.305 . . . . 0.0 110.542 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -46.33 162.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.528 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -42.35 125.07 3.99 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -131.28 138.36 49.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.671 0.272 . . . . 0.0 110.452 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.62 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -78.44 157.85 28.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.615 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.0 -37.24 81.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.428 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -50.88 -45.41 60.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.2 mt -71.27 -60.15 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.682 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.6 mtp85 -51.46 -21.61 2.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.439 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 3.7 t80 -75.63 -64.65 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.661 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 tp -49.82 -19.89 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.952 0.406 . . . . 0.0 110.787 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -15.92 10.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.612 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.864 HD23 ' N ' ' A' ' 79' ' ' VAL . 0.1 OUTLIER -95.6 -8.91 33.63 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -178.65 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.864 ' N ' HD23 ' A' ' 78' ' ' LEU . 1.0 OUTLIER -58.93 -42.26 93.04 Favored Pre-proline 0 CA--C 1.53 0.206 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.914 -179.447 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 16.6 Cg_exo -64.47 -20.49 66.07 Favored 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.368 2.045 . . . . 0.0 111.852 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.5 t -87.55 -11.31 49.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.804 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.796 HD22 ' NE2' ' A' ' 51' ' ' HIS . 47.7 mt -99.14 -15.74 18.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.654 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 41.23 52.89 3.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.629 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.9 mt -38.75 155.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.762 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' A' ' 87' ' ' ALA . 62.1 m-20 -116.07 85.31 14.95 Favored Pre-proline 0 CA--C 1.531 0.227 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.501 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -49.1 -7.38 0.07 OUTLIER 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.326 2.017 . . . . 0.0 112.415 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.54 ' HB3' ' NE2' ' A' ' 88' ' ' GLN . . . -42.07 -35.57 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.22 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.54 ' NE2' ' HB3' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -129.84 -170.88 2.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.235 179.79 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.4 mm -90.72 155.93 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 110.587 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.507 ' HB2' HG12 ' A' ' 120' ' ' VAL . 2.3 m-85 -134.88 166.44 22.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.573 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -140.93 103.66 4.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.564 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.38 117.16 42.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.088 179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.2 m -101.11 122.46 43.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.064 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.44 ' CD1' HD21 ' A' ' 122' ' ' LEU . 18.7 m0 -100.6 131.8 46.32 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.453 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.593 ' CE1' ' SG ' ' A' ' 161' ' ' CYS . 47.5 m-85 -123.95 102.75 7.94 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.97 141.07 29.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.961 -178.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.665 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 5.6 p -96.95 -24.36 15.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.75 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.7 ' CG ' HG22 ' A' ' 31' ' ' THR . 13.5 m95 -114.07 133.85 55.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.537 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.433 ' OG ' HG23 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -53.32 163.12 1.01 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.565 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -70.64 172.95 12.49 Favored 'Trans proline' 0 C--N 1.31 -1.489 0 C-N-CA 122.559 2.173 . . . . 0.0 112.216 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.584 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 30.6 p -107.77 -131.73 0.31 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.551 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.584 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -56.22 99.69 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.391 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.887 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 48.0 t -38.55 -25.17 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.804 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.521 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -85.28 -32.59 22.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.484 -179.479 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -78.02 -62.22 2.38 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.21 -69.13 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.733 0.301 . . . . 0.0 111.148 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.887 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -51.32 -54.76 23.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.77 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -42.17 -55.06 4.39 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.16 -49.12 23.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.285 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.403 ' H ' HG23 ' A' ' 110' ' ' VAL . 3.0 t -64.12 -50.65 76.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.706 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -41.8 -59.36 1.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.505 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.52 -40.41 68.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.413 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 117' ' ' ASN . 7.4 t80 -52.75 -48.83 66.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.449 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.429 ' C ' ' N ' ' A' ' 116' ' ' GLU . 17.9 mt -68.53 -53.85 20.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.424 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -46.68 -20.33 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.435 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.429 ' N ' ' C ' ' A' ' 114' ' ' LEU . 0.7 OUTLIER -110.36 -30.37 7.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.035 -179.813 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.562 ' O ' HG22 ' A' ' 120' ' ' VAL . 4.7 m120 -131.42 53.94 1.95 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.911 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.31 4.6 0.69 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.753 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.433 ' H ' ' C ' ' A' ' 117' ' ' ASN . 23.2 p-80 -82.14 12.05 4.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.878 0.37 . . . . 0.0 110.467 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 117' ' ' ASN . 13.0 m -132.31 134.61 59.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.537 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -91.4 116.3 28.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.056 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.44 HD21 ' CD1' ' A' ' 94' ' ' TRP . 0.6 OUTLIER -100.94 119.76 39.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.07 -179.514 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -106.85 123.75 48.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.659 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 21.3 mm -104.71 128.16 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.026 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -126.84 114.38 17.83 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.011 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -97.44 109.86 22.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.06 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.665 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -81.82 -42.92 18.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -135.94 141.56 44.51 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.904 0.383 . . . . 0.0 110.734 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.518 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 0.5 OUTLIER -99.21 125.29 52.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.671 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 4.5 m-85 -172.62 119.68 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.44 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -153.65 -166.06 2.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.613 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -86.65 -31.71 20.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.63 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.98 162.33 44.04 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.471 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.437 ' C ' ' N ' ' A' ' 136' ' ' TYR . 39.0 Cg_endo -69.72 3.8 2.54 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.579 2.186 . . . . 0.0 112.07 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 tp -45.29 -20.25 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.504 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.437 ' N ' ' C ' ' A' ' 134' ' ' PRO . 0.0 OUTLIER -44.66 -25.72 0.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.424 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -61.37 -59.99 4.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.353 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.32 -29.1 57.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.269 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.23 -38.09 89.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.322 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.2 mp -68.24 -39.72 82.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.517 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -73.73 -60.63 2.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.541 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.469 ' SD ' ' O ' ' A' ' 103' ' ' SER . 3.2 ttm -44.8 -37.72 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.559 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.536 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 0.7 OUTLIER -74.3 -40.04 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -52.64 -41.89 64.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.516 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.35 -3.13 15.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.555 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 143' ' ' LEU . . . -90.35 -24.05 20.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.548 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 101.25 -19.08 52.84 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -54.63 159.85 2.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.788 0.328 . . . . 0.0 110.57 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLN . . . . . 0.423 ' OE1' ' O ' ' A' ' 149' ' ' GLN . 0.6 OUTLIER -98.07 107.1 19.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.572 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.541 HG13 ' O ' ' A' ' 150' ' ' VAL . 12.4 p -100.73 120.87 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.13 161.31 42.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.547 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.1 tp -88.11 138.03 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.585 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.543 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 2.5 ttt -42.65 135.37 2.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.621 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.57 162.1 16.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.555 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -57.06 -47.43 80.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.699 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -56.31 -38.74 71.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.555 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.49 ' O ' ' SG ' ' A' ' 161' ' ' CYS . 91.0 mt-10 -69.53 -32.0 70.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.63 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.543 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.5 OUTLIER -63.39 -44.65 94.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.584 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.74 -50.27 71.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.776 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.505 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -64.82 -57.8 7.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.695 -179.843 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.593 ' SG ' ' CE1' ' A' ' 95' ' ' PHE . 83.9 m -51.99 -33.05 36.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.83 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' TRP . . . . . 0.544 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 6.7 t-105 -64.17 -70.13 0.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.972 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' ASP . . . . . 0.545 ' OD1' ' ND1' ' A' ' 168' ' ' HIS . 73.2 m-20 -58.52 -17.08 18.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.603 0.24 . . . . 0.0 111.135 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.519 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 36.7 m -86.68 -43.24 12.75 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.752 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.501 ' O ' ' SD ' ' A' ' 13' ' ' MET . 48.2 m-85 -98.46 19.4 14.55 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.455 HG12 ' N ' ' A' ' 168' ' ' HIS . 94.3 t -137.56 147.09 26.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.925 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' A' ' 169' ' ' GLN . 0.4 OUTLIER -80.84 35.2 0.36 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.445 0.641 . . . . 0.0 109.357 179.219 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.621 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -45.49 -13.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.931 -179.596 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 169' ' ' GLN . . . . . 0.524 ' N ' ' O ' ' A' ' 167' ' ' ASP . 29.0 mt-30 48.06 12.96 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.909 0.385 . . . . 0.0 110.455 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' GLY . . . . . 0.621 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 113.98 50.54 0.51 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.555 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.0 OUTLIER -127.16 150.4 72.14 Favored Pre-proline 0 CA--C 1.537 0.451 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 179.709 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -77.03 172.53 16.0 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 122.434 2.089 . . . . 0.0 112.864 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -91.43 150.71 21.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.107 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -110.2 94.3 17.9 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.819 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -81.38 145.0 14.74 Favored 'Trans proline' 0 N--CA 1.49 1.27 0 C-N-CA 122.158 1.905 . . . . 0.0 112.195 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' TRP . . . . . 0.526 ' HE1' ' CD2' ' A' ' 182' ' ' HIS . 0.2 OUTLIER -72.56 167.3 20.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.319 179.766 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.42 86.48 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 110.663 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 150.04 50.4 0.02 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 6.3 mp -77.47 -49.31 15.05 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.554 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' ASP . . . . . 0.408 ' O ' ' CG ' ' A' ' 184' ' ' GLN . 3.6 t0 -59.2 -22.35 60.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.866 0.365 . . . . 0.0 110.299 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -78.75 -61.78 1.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.18 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 182' ' ' HIS . . . . . 0.526 ' CD2' ' HE1' ' A' ' 176' ' ' TRP . 0.3 OUTLIER -66.93 -32.53 73.85 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.974 -179.362 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 183' ' ' SER . . . . . 0.405 ' N ' ' ND1' ' A' ' 182' ' ' HIS . 85.0 p -67.51 -53.48 28.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.481 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 184' ' ' GLN . . . . . 0.408 ' CG ' ' O ' ' A' ' 180' ' ' ASP . 37.3 mm-40 -60.7 -35.11 75.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.498 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -64.55 -64.48 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.538 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 11.5 mt -54.23 -58.2 8.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.515 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 74.3 m -47.66 -37.25 12.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.53 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -64.18 -35.21 91.69 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 189' ' ' ARG . . . . . 0.657 ' CA ' ' HE ' ' A' ' 189' ' ' ARG . 0.0 OUTLIER -65.83 -56.91 9.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.328 . . . . 0.0 110.427 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 190' ' ' LEU . 1.2 tt -47.67 -56.14 7.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.398 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.05 -49.44 16.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.452 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 192' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -47.2 -52.82 14.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.578 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 193' ' ' ILE . . . . . 0.531 ' N ' HD12 ' A' ' 193' ' ' ILE . 1.7 mp -63.75 -30.16 49.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.567 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.4 mt -81.31 -4.77 56.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.542 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -103.85 92.14 4.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.56 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -125.29 17.82 8.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.546 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.85 166.2 27.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.528 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 97.68 -27.12 20.31 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 19.8 t30 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.6 179.958 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 3' ' ' ALA . 61.3 mtm . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -69.04 65.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.589 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 1' ' ' MET . . . -93.96 -40.69 9.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.612 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.8 m -139.42 61.39 19.8 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.598 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -74.87 -27.42 10.29 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.723 2.282 . . . . 0.0 112.18 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -172.4 -141.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.571 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' A' ' 8' ' ' GLY . 48.3 t 55.05 -127.7 2.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.449 ' C ' ' H ' ' A' ' 10' ' ' ARG . . . -137.7 177.13 20.16 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -72.05 22.69 0.26 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.815 2.344 . . . . 0.0 112.06 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.449 ' H ' ' C ' ' A' ' 8' ' ' GLY . 0.7 OUTLIER 60.48 154.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.529 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -161.55 99.0 1.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.52 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.853 HD22 ' N ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -107.59 173.41 6.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.161 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 63.4 mtm -71.8 156.92 38.77 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.25 139.16 92.2 Favored Pre-proline 0 CA--C 1.537 0.469 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.403 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.408 ' O ' ' OG1' ' A' ' 19' ' ' THR . 77.7 Cg_exo -40.5 -54.25 2.37 Favored 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 122.113 1.875 . . . . 0.0 112.258 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -64.19 -47.46 79.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.973 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.551 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 1.8 mm -48.87 -32.75 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.565 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -81.65 -60.43 2.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.607 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -50.88 -24.18 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.52 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 t -86.16 -42.24 14.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.566 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.551 ' ND2' ' O ' ' A' ' 17' ' ' ILE . 36.8 m-80 -73.36 -5.19 38.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.602 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -133.2 24.2 4.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.494 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -76.12 107.2 8.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.562 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -42.64 113.52 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.588 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.14 66.21 0.82 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -99.57 -176.36 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.598 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -165.42 1.49 0.05 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.43 163.01 18.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 0.0 110.518 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.934 ' C ' HE22 ' A' ' 58' ' ' GLN . 15.8 m80 -104.53 94.77 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.636 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.461 ' N ' HE22 ' A' ' 58' ' ' GLN . 17.1 tttp -172.81 62.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.655 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.442 HG22 ' CD2' ' A' ' 98' ' ' TRP . 24.0 p -47.06 133.68 11.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -106.1 135.78 46.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.393 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.8 tp -134.51 107.75 7.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.328 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.589 ' SG ' ' CG ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -93.68 118.68 31.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.336 179.779 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.448 ' CE2' ' C ' ' A' ' 53' ' ' GLY . 25.9 p90 -107.17 134.04 50.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.522 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.441 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -127.78 129.41 46.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.169 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.641 HG21 ' ND1' ' A' ' 51' ' ' HIS . 86.3 t -99.34 125.93 52.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.969 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -138.27 157.04 47.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.316 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -126.33 142.55 51.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.474 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.457 HD12 ' HB ' ' A' ' 89' ' ' ILE . 59.1 mt -87.85 144.1 26.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.95 0.405 . . . . 0.0 110.691 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.32 103.16 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.599 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.42 25.06 13.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.519 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.42 -19.94 52.71 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 m -87.19 112.19 21.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.611 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 p -76.47 125.04 28.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.599 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.7 t -111.73 102.5 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.629 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.71 154.36 41.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.454 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -103.37 147.56 26.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.643 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 9.9 p-10 -91.31 -50.37 5.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.549 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.404 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -99.89 69.57 1.57 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.316 179.834 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.641 ' ND1' HG21 ' A' ' 37' ' ' VAL . 10.5 t-80 -171.51 9.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.463 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.554 HH22 ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -111.82 170.74 7.93 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.513 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.448 ' C ' ' CE2' ' A' ' 35' ' ' TYR . . . 176.85 -174.93 47.42 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -146.17 138.35 25.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.652 0.263 . . . . 0.0 110.725 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.4 mt -125.58 169.65 12.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.515 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.04 138.21 43.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.297 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.681 ' HA ' ' HB2' ' A' ' 71' ' ' ALA . 12.5 p-10 -70.34 -162.13 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.061 0.458 . . . . 0.0 110.875 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.934 HE22 ' C ' ' A' ' 29' ' ' HIS . 5.9 mt-30 51.76 172.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.685 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.88 -22.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.339 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt 60.67 96.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.712 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.533 ' O ' ' N ' ' A' ' 63' ' ' LEU . 1.1 t-20 -113.6 122.86 48.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.373 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.674 HD12 ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -43.31 -15.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.319 -179.64 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.674 ' N ' HD12 ' A' ' 62' ' ' LEU . 3.8 mt -67.75 -51.09 53.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.771 0.32 . . . . 0.0 110.595 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 3.9 t -105.84 -13.39 15.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.629 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.523 ' O ' ' CG ' ' A' ' 66' ' ' PHE . . . 75.97 -12.97 7.75 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.523 ' CG ' ' O ' ' A' ' 65' ' ' GLY . 97.5 m-85 -158.77 65.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.726 0.298 . . . . 0.0 110.645 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.76 120.02 14.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.549 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -116.58 105.66 1.38 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 45.0 mtp85 -136.66 116.79 13.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.696 0.284 . . . . 0.0 110.512 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.476 ' NE2' ' CD1' ' A' ' 73' ' ' LEU . 0.3 OUTLIER -41.37 135.27 2.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.102 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.681 ' HB2' ' HA ' ' A' ' 57' ' ' ASN . . . -80.95 -15.1 57.18 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.974 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.528 ' OE1' ' CZ3' ' A' ' 94' ' ' TRP . 2.2 mm-40 -41.05 -39.99 1.35 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.911 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.476 ' CD1' ' NE2' ' A' ' 70' ' ' HIS . 96.1 mt -71.03 -35.3 71.94 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.699 -0.4 . . . . 0.0 109.995 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 71' ' ' ALA . 0.5 OUTLIER -59.45 -24.24 63.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.983 179.545 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -81.14 -58.51 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.476 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.678 ' O ' HG23 ' A' ' 79' ' ' VAL . 5.0 mt -62.77 -19.74 64.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -55.44 -36.7 66.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.65 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.498 ' CD1' HD21 ' A' ' 82' ' ' LEU . 1.3 pp -79.83 4.71 15.71 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.235 -179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 76' ' ' LEU . 4.3 t -42.48 -59.85 2.57 Favored Pre-proline 0 CA--C 1.534 0.342 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.245 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.409 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 9.8 Cg_endo -52.29 -33.97 57.87 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 121.747 1.631 . . . . 0.0 111.883 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.86 -9.13 3.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.678 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.582 HD22 ' NE2' ' A' ' 51' ' ' HIS . 8.8 mt -107.95 -46.54 3.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.375 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 65.76 49.53 1.7 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.074 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.32 131.52 48.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.247 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.35 159.66 30.69 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.538 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.419 ' O ' ' O ' ' A' ' 87' ' ' ALA . 54.6 Cg_endo -71.51 3.34 3.73 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.518 2.145 . . . . 0.0 112.372 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 86' ' ' PRO . . . -42.11 -94.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.701 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.597 ' H ' ' CD ' ' A' ' 88' ' ' GLN . 0.6 OUTLIER -93.66 -167.76 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.375 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.553 ' H ' HD12 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -94.3 160.68 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.987 0.422 . . . . 0.0 110.257 179.809 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -128.57 140.67 51.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.939 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -125.1 108.09 11.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.312 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.1 t -103.24 124.82 57.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.037 0.446 . . . . 0.0 110.205 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.65 122.72 39.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.786 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.528 ' CZ3' ' OE1' ' A' ' 72' ' ' GLU . 16.3 m0 -103.36 131.88 50.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.523 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -124.8 102.95 7.81 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.9 138.34 39.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.415 -178.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.66 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 0.5 OUTLIER -94.73 -23.88 17.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.882 179.237 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.608 ' CZ3' ' CD2' ' A' ' 130' ' ' TYR . 20.8 m95 -114.23 136.44 52.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.488 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -51.28 162.69 0.62 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.626 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' A' ' 99' ' ' SER . 53.9 Cg_exo -42.34 172.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 122.658 2.239 . . . . 0.0 112.309 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.63 -34.81 3.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.355 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.504 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.2 OUTLIER -171.48 109.21 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.694 179.708 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.497 ' O ' ' SD ' ' A' ' 142' ' ' MET . 53.4 p -42.34 -36.56 1.3 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.795 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -84.64 -19.88 32.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.259 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -86.27 -65.33 1.42 Allowed Glycine 0 CA--C 1.526 0.761 0 C-N-CA 120.102 -1.047 . . . . 0.0 111.135 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' CYS . . . . . 0.448 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -79.64 -69.51 0.58 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.747 0.308 . . . . 0.0 110.763 179.815 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -54.6 -20.82 8.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.015 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -68.83 -60.86 5.02 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.283 -1.127 . . . . 0.0 110.283 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -55.08 -23.1 18.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 110.284 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 106' ' ' CYS . 88.3 t -72.62 -62.9 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.727 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.528 ' NH2' ' CE ' ' A' ' 142' ' ' MET . 6.7 ptt180 -53.74 -30.72 45.49 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.168 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.84 -48.72 77.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.245 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -64.84 -38.88 92.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 10.4 mp -74.62 -32.75 62.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.968 0.414 . . . . 0.0 110.727 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -62.14 -36.1 80.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.116 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -100.55 -4.93 27.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.926 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.636 ' O ' HG12 ' A' ' 120' ' ' VAL . 14.1 t-20 -164.29 61.88 0.15 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.051 0.453 . . . . 0.0 110.943 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.29 2.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.254 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.526 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.2 OUTLIER -75.75 3.03 10.63 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.427 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.654 ' O ' HG13 ' A' ' 120' ' ' VAL . 7.1 p -124.46 99.14 5.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.379 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -99.28 148.91 23.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.259 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.608 ' O ' HD12 ' A' ' 122' ' ' LEU . 0.3 OUTLIER -142.59 153.47 43.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.189 0.519 . . . . 0.0 111.644 -179.734 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.478 ' C ' HD12 ' A' ' 124' ' ' ILE . 2.9 mtp180 -107.12 135.79 48.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.067 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.478 HD12 ' C ' ' A' ' 123' ' ' ARG . 1.7 mp -105.33 132.86 51.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.822 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -128.02 115.74 18.95 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.963 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -96.61 110.6 22.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.07 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.66 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -82.86 -40.57 20.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -137.46 138.09 39.39 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.951 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -103.17 115.46 45.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.534 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.608 ' CD2' ' CZ3' ' A' ' 98' ' ' TRP . 10.7 t80 -103.51 153.29 20.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.972 0.415 . . . . 0.0 110.518 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 1.1 m-20 -78.94 74.31 5.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.563 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.18 -59.95 2.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.555 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -159.85 162.14 25.21 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.441 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.469 ' C ' ' H ' ' A' ' 136' ' ' TYR . 40.8 Cg_endo -69.83 -11.44 30.76 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.533 2.155 . . . . 0.0 112.094 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.449 HD13 ' CE1' ' A' ' 102' ' ' PHE . 7.8 mt -66.42 4.57 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.622 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.469 ' H ' ' C ' ' A' ' 134' ' ' PRO . 0.5 OUTLIER -57.48 -54.8 42.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.596 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -56.69 -54.72 42.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.603 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -44.72 -53.48 7.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.618 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -48.53 -50.9 30.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.512 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 140' ' ' LEU . 0.8 OUTLIER -48.08 -51.0 26.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.616 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -61.79 -50.53 71.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.649 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.528 ' CE ' ' NH2' ' A' ' 111' ' ' ARG . 1.7 ttt -47.28 -49.93 22.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.619 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.8 mt -57.22 -41.52 79.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.607 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -60.14 -31.87 70.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.58 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -84.1 -13.51 52.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.554 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.6 -16.39 30.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.588 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.97 -8.16 67.67 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.35 157.93 37.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.761 0.315 . . . . 0.0 110.568 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -95.0 146.39 24.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.575 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 11.4 t -132.05 120.83 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.589 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.6 m -153.11 162.07 41.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.548 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.459 HG23 ' O ' ' A' ' 152' ' ' ILE . 1.7 tp -90.06 130.45 39.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.476 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -41.49 122.25 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.591 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.82 173.66 6.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.629 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 155' ' ' TYR . 1.2 t80 -58.86 -55.73 31.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.586 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -50.07 -44.02 51.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.447 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -62.35 -42.49 99.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.629 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -57.56 -48.94 77.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.575 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -52.3 -50.08 62.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.973 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.612 ' CD2' ' N ' ' A' ' 161' ' ' CYS . 0.4 OUTLIER -67.89 -57.84 5.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.827 -179.789 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.612 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 2.5 t -52.19 -26.37 11.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.802 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 162' ' ' TRP . . . . . 0.633 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.0 t-105 -70.86 -70.09 0.33 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.92 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 163' ' ' ASP . . . . . 0.633 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -63.33 -14.3 48.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.612 -179.123 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 23.0 m -82.51 -27.26 31.85 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.911 -0.315 . . . . 0.0 111.194 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.589 ' CG ' ' SG ' ' A' ' 34' ' ' CYS . 58.4 m-85 -121.7 19.65 11.07 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.574 -179.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.519 ' C ' ' H ' ' A' ' 168' ' ' HIS . 71.1 t -135.06 155.18 37.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 121.146 0.498 . . . . 0.0 111.711 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 167' ' ' ASP . . . . . 0.463 ' N ' HG12 ' A' ' 166' ' ' VAL . 5.8 m-20 -75.7 32.54 0.11 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.769 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.734 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -38.02 -52.3 1.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.921 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 169' ' ' GLN . . . . . 0.621 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 16.2 mm-40 41.32 15.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.598 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 170' ' ' GLY . . . . . 0.734 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 143.58 -2.79 1.53 Allowed Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.587 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 56.2 m -114.09 88.74 15.34 Favored Pre-proline 0 CA--C 1.531 0.238 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -78.68 166.81 23.3 Favored 'Trans proline' 0 C--N 1.315 -1.224 0 C-N-CA 122.076 1.851 . . . . 0.0 112.701 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -51.67 146.14 8.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.751 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -124.98 86.78 56.21 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.272 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -50.95 131.95 36.22 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.289 1.992 . . . . 0.0 112.077 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -99.6 -178.42 3.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.521 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -83.03 100.03 10.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.567 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 143.33 -25.49 2.17 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 2.2 tp -48.57 -52.85 20.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.812 0.339 . . . . 0.0 110.512 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -51.36 -50.07 60.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.582 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -57.68 -61.7 2.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.588 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -44.46 -41.1 6.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 1.3 m -63.1 -45.82 90.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.637 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -56.46 -34.97 67.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.632 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -73.04 -65.07 0.85 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.505 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 9.0 mt -46.94 -42.17 17.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.574 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 11.0 t -68.64 -37.06 79.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.614 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -55.99 -40.94 83.7 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -69.5 -56.0 8.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.808 0.337 . . . . 0.0 110.555 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -50.48 -36.82 35.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.413 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -70.92 -40.28 72.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.573 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -52.59 -54.61 30.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.569 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 193' ' ' ILE . . . . . 0.548 ' N ' HD12 ' A' ' 193' ' ' ILE . 1.7 mp -59.44 -45.34 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.502 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -60.96 -29.55 69.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.457 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 58.1 mm-40 -97.9 88.48 4.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.574 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -60.57 154.61 20.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.591 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -55.71 -88.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.571 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 90.38 -68.83 2.37 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.599 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.53 113.79 25.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.624 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.96 -150.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.614 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.2 p -141.88 68.57 23.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.559 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -49.03 152.81 4.48 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.703 2.269 . . . . 0.0 112.099 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.05 40.68 1.13 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.597 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.7 t -94.55 110.58 22.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.553 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.58 176.51 17.68 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -75.13 144.84 30.32 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.903 2.402 . . . . 0.0 112.064 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.401 ' HA ' ' HE ' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -109.27 45.44 1.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.528 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.53 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 0.4 OUTLIER -81.67 56.96 3.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.501 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.522 ' N ' HD12 ' A' ' 12' ' ' LEU . 6.8 mp -94.74 173.3 7.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.427 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.465 ' SD ' ' CE2' ' A' ' 54' ' ' PHE . 53.1 mtm -63.59 167.19 5.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.088 179.336 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.3 OUTLIER -87.24 145.63 38.29 Favored Pre-proline 0 CA--C 1.536 0.44 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.728 -179.606 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -40.55 -51.33 3.51 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.289 1.993 . . . . 0.0 112.37 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.516 ' CG ' ' N ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -61.9 -49.23 77.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.927 -179.587 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.516 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 3.5 mm -48.68 -53.88 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.057 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -58.24 -60.2 4.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.786 0.327 . . . . 0.0 110.559 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.3 p -49.24 -24.21 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.573 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.491 ' OG ' ' N ' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -69.79 -62.78 1.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.761 -179.739 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.605 ' ND2' ' CD2' ' A' ' 22' ' ' PHE . 7.8 p-10 -71.47 0.41 8.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.763 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.605 ' CD2' ' ND2' ' A' ' 21' ' ' ASN . 34.4 m-85 -133.38 22.14 4.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.485 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.29 0.4 10.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.643 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 56.55 173.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.565 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 49.82 35.73 24.82 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.524 ' CD1' ' HE1' ' A' ' 98' ' ' TRP . 10.3 pt -82.17 -167.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.321 . . . . 0.0 110.684 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.45 -39.14 0.02 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -161.63 120.03 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.716 0.293 . . . . 0.0 110.476 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -160.0 -79.79 0.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.602 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -178.86 111.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.583 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.621 HG22 ' CG ' ' A' ' 98' ' ' TRP . 61.8 p -48.8 130.93 18.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.601 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -106.33 141.1 38.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.521 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.547 HD22 ' OE2' ' A' ' 72' ' ' GLU . 12.2 tp -135.52 111.07 9.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.484 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.0 109.47 21.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.245 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.437 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 23.8 p90 -102.22 142.9 32.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.56 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.709 ' OE2' HG21 ' A' ' 164' ' ' THR . 40.9 mt-10 -132.01 143.47 50.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.506 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.746 HG11 ' CE1' ' A' ' 51' ' ' HIS . 13.4 t -111.66 123.01 67.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.548 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -137.52 138.97 40.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.584 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -95.88 145.96 24.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.539 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mp -101.34 121.34 41.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.555 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -135.34 111.71 9.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.659 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.486 ' C ' ' H ' ' A' ' 44' ' ' THR . 11.2 m-20 54.82 43.98 29.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.569 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.77 -26.94 1.11 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.486 ' H ' ' C ' ' A' ' 42' ' ' ASN . 9.4 m -72.37 113.83 9.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.773 0.32 . . . . 0.0 110.524 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.1 p -89.85 133.36 34.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.651 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.5 t -129.04 125.29 62.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.412 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.07 152.65 21.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.658 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.517 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -99.39 157.7 16.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.513 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.83 -50.34 5.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.59 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -100.15 73.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.335 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.746 ' CE1' HG11 ' A' ' 37' ' ' VAL . 9.3 t-80 -172.85 -7.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.426 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.517 ' NH2' ' O ' ' A' ' 48' ' ' MET . 8.3 ptp180 -100.65 170.89 8.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.56 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.7 176.39 47.19 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 3.9 p90 -141.02 143.39 34.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.686 0.279 . . . . 0.0 110.694 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mp -132.17 163.41 28.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.415 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.93 152.7 51.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.541 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.485 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 7.1 p-10 -52.17 152.64 3.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.528 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 57.41 82.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.603 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.13 -133.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.502 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -109.67 173.21 6.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.569 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.1 m120 65.1 46.58 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.604 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.4 mp -68.58 -34.25 75.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.555 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.543 HD12 ' N ' ' A' ' 63' ' ' LEU . 8.9 mp -61.27 -22.62 65.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.666 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 77.4 m -72.66 0.83 9.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.573 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.504 ' O ' ' N ' ' A' ' 67' ' ' TYR . . . 103.84 -12.87 53.29 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -61.51 74.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.72 0.295 . . . . 0.0 110.576 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.504 ' N ' ' O ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER -115.69 155.93 26.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.52 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 48.3 36.07 15.83 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.442 ' CG ' HH11 ' A' ' 69' ' ' ARG . 0.0 OUTLIER -99.97 134.54 42.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.786 0.327 . . . . 0.0 110.563 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.621 ' NE2' HD11 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -98.38 147.58 24.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.588 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -45.01 -45.43 10.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.545 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.547 ' OE2' HD22 ' A' ' 33' ' ' LEU . 5.9 mp0 -42.34 -48.72 5.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.514 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.621 HD11 ' NE2' ' A' ' 70' ' ' HIS . 28.2 mt -65.39 -54.1 33.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.614 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.04 -33.14 10.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.623 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.449 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 6.9 t80 -72.02 -50.03 31.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.681 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.47 -20.1 64.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.873 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.55 -33.88 53.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.119 -179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.652 ' C ' HD12 ' A' ' 78' ' ' LEU . 3.9 pp -98.33 8.22 45.15 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.854 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.569 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -62.99 -41.6 71.89 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 28.9 Cg_exo -58.81 -17.43 36.39 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.107 1.871 . . . . 0.0 111.824 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 85.9 p -59.35 -9.01 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.661 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.606 HD22 ' NE2' ' A' ' 51' ' ' HIS . 12.0 mt -105.67 -47.44 3.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.582 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 65.94 49.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.613 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 37.0 mt -59.53 134.12 56.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.468 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.37 159.27 33.14 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.496 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -70.52 -21.45 29.95 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.436 2.09 . . . . 0.0 112.086 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.31 -83.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.638 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.565 ' H ' ' CD ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -82.17 160.43 23.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.659 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.9 mm -89.66 155.03 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.458 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.488 ' HB2' HG22 ' A' ' 120' ' ' VAL . 12.5 m-85 -137.33 167.2 22.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.825 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -145.18 116.75 8.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.514 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.1 t -98.58 112.79 31.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.275 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.27 117.62 30.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.628 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -100.99 132.13 46.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.714 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -127.12 103.31 7.37 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.91 146.18 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.132 -177.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.656 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 29.6 p -97.42 -28.84 13.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.817 178.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.621 ' CG ' HG22 ' A' ' 31' ' ' THR . 8.2 m95 -112.22 136.57 51.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.545 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.35 162.53 0.65 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.491 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -69.59 172.93 11.58 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.631 2.22 . . . . 0.0 112.224 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.568 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 20.1 p -111.96 -139.13 0.38 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.455 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.568 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -46.66 95.91 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.491 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.891 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 36.9 m -39.36 -25.29 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.687 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.501 ' N ' ' O ' ' A' ' 102' ' ' PHE . 5.7 t90 -85.9 -31.41 22.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.574 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -78.54 -62.08 2.34 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.74 -68.78 0.39 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.785 0.326 . . . . 0.0 111.064 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.891 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -54.45 -58.47 7.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.065 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -42.16 -51.6 5.18 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.42 ' OE2' ' O ' ' A' ' 105' ' ' GLY . 15.3 mt-10 -54.21 -42.71 70.09 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.345 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 100.0 t -68.37 -38.58 79.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.564 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.521 ' NH2' ' OE1' ' A' ' 115' ' ' GLN . 44.8 ttt85 -54.04 -58.99 5.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.425 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.83 -53.87 28.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.42 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.516 ' O ' ' ND2' ' A' ' 117' ' ' ASN . 23.5 t80 -50.41 -36.85 34.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.634 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.464 ' C ' ' N ' ' A' ' 116' ' ' GLU . 3.2 mp -74.72 -58.58 3.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.616 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.521 ' OE1' ' NH2' ' A' ' 111' ' ' ARG . 14.6 mt-30 -47.88 -15.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.317 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.464 ' N ' ' C ' ' A' ' 114' ' ' LEU . 2.6 tp10 -106.41 -46.47 4.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.565 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.516 ' ND2' ' O ' ' A' ' 113' ' ' PHE . 20.7 m-80 -101.38 38.14 1.65 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.81 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -45.49 -15.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.833 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.549 ' CD2' HG23 ' A' ' 120' ' ' VAL . 1.3 p80 -76.21 13.09 0.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.52 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.549 HG23 ' CD2' ' A' ' 119' ' ' HIS . 62.8 t -131.13 144.49 37.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.46 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -91.55 148.44 22.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.599 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.497 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -132.29 112.38 12.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.439 -179.793 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.497 ' N ' HD13 ' A' ' 122' ' ' LEU . 59.1 mtp85 -120.39 117.84 28.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.013 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.6 mt -105.3 133.58 49.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.055 0.455 . . . . 0.0 111.092 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -127.75 118.0 22.95 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.75 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -95.49 112.67 24.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.232 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.656 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -84.26 -40.91 17.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.744 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.438 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -138.26 139.02 39.0 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.783 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.523 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 1.1 mt -95.64 120.92 45.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.595 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.523 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 3.7 m-85 -166.52 116.55 0.93 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.382 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -146.96 -174.67 4.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.486 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' TYR . . . . . 0.419 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 1.3 m-85 -89.14 -12.78 40.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.563 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 132' ' ' TYR . 0.5 OUTLIER -159.65 161.04 27.51 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.446 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.93 44.24 0.51 Allowed 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.494 2.129 . . . . 0.0 111.913 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.8 tp -90.08 -3.66 57.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.712 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -63.51 -28.65 70.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.577 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.86 -53.97 10.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.511 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -50.84 -35.13 30.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.47 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.729 ' HB2' ' OG ' ' A' ' 103' ' ' SER . . . -72.5 -42.12 65.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.569 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.39 -38.4 53.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.445 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -82.57 -60.56 2.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.758 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 3.6 ttt -47.54 -30.96 3.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.688 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 20.4 tp -76.97 -54.28 6.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.484 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.18 -24.25 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.673 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -68.26 -1.81 6.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.727 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -104.39 -23.35 13.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.559 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 105.95 -3.66 38.62 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -62.1 156.99 20.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.346 . . . . 0.0 110.482 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -93.64 133.24 37.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.59 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.21 110.39 16.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.537 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.52 162.19 37.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.757 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 5.2 mt -87.68 133.18 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.382 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 6.6 tpp -41.61 105.64 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.494 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.07 159.07 20.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.514 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -44.44 -54.71 5.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.65 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -51.62 -50.87 59.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.588 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -57.87 -44.9 86.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.616 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -52.09 -46.53 65.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.59 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 173' ' ' PHE . 1.8 tpmt? -56.71 -48.01 78.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.751 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.639 ' ND1' ' N ' ' A' ' 161' ' ' CYS . 0.1 OUTLIER -64.69 -57.12 9.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.801 -179.699 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.639 ' N ' ' ND1' ' A' ' 160' ' ' HIS . 0.1 OUTLIER -54.42 -23.87 17.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 -179.327 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 162' ' ' TRP . . . . . 0.618 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 6.2 t-105 -75.08 -70.52 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.9 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 163' ' ' ASP . . . . . 0.618 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 2.1 p30 -62.69 -14.19 41.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.231 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.709 HG21 ' OE2' ' A' ' 36' ' ' GLU . 99.7 m -86.17 -24.49 26.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.458 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -121.3 16.6 11.44 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.444 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.474 HG12 ' N ' ' A' ' 168' ' ' HIS . 52.6 t -136.14 142.65 38.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.767 0.317 . . . . 0.0 110.806 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 167' ' ' ASP . . . . . 0.477 ' C ' ' H ' ' A' ' 169' ' ' GLN . 20.0 p-10 -80.82 42.96 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.953 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.59 ' CD2' ' H ' ' A' ' 171' ' ' CYS . 0.1 OUTLIER -53.27 -8.52 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.425 -179.718 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 169' ' ' GLN . . . . . 0.477 ' H ' ' C ' ' A' ' 167' ' ' ASP . 31.2 mt-30 46.79 13.44 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.749 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 170' ' ' GLY . . . . . 0.551 ' H ' ' CG ' ' A' ' 168' ' ' HIS . . . 113.71 37.91 1.24 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.59 ' H ' ' CD2' ' A' ' 168' ' ' HIS . 1.7 m -127.15 81.01 70.74 Favored Pre-proline 0 C--N 1.332 -0.179 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -48.93 148.51 9.04 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 122.478 2.119 . . . . 0.0 112.278 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.519 ' CE1' ' O ' ' A' ' 174' ' ' GLN . 0.2 OUTLIER -95.61 120.16 35.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.597 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.519 ' O ' ' CE1' ' A' ' 173' ' ' PHE . 21.7 mt-30 -77.51 156.33 80.96 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.364 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.24 140.98 34.92 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 122.372 2.048 . . . . 0.0 112.143 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 1.2 p90 -83.37 -173.06 4.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.414 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -87.45 86.68 7.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.623 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 144.67 -12.47 1.97 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.4 tt -51.33 -42.41 61.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.771 0.32 . . . . 0.0 110.585 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 180' ' ' ASP . . . . . 0.45 ' N ' ' OD1' ' A' ' 180' ' ' ASP . 1.8 m-20 -68.03 -61.16 1.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.643 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -46.53 -52.9 12.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.608 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -55.39 -53.61 54.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.515 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 68.1 m -50.21 -37.01 33.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.643 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -73.5 -55.0 6.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.605 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -47.53 -56.02 7.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.494 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 7.4 mt -56.55 -53.8 53.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.496 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 75.4 p -51.82 -29.23 18.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.471 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -66.66 -52.03 37.24 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -59.04 -56.04 27.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.818 0.342 . . . . 0.0 110.547 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -50.01 -59.31 4.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.497 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 191' ' ' ARG . . . . . 0.417 ' NH1' ' OE1' ' A' ' 197' ' ' GLN . 33.9 ttm-85 -46.74 -49.66 19.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.603 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -55.15 -37.59 67.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.565 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 36.5 mt -75.77 -31.9 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.578 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' A' ' 195' ' ' GLN . 5.1 mp -77.58 -30.77 52.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.586 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 195' ' ' GLN . . . . . 0.423 ' CB ' ' O ' ' A' ' 194' ' ' LEU . 0.0 OUTLIER 75.88 -44.42 0.51 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.607 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -150.24 127.69 11.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.549 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 197' ' ' GLN . . . . . 0.417 ' OE1' ' NH1' ' A' ' 191' ' ' ARG . 3.3 pt20 -101.09 -32.75 10.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.546 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 178.01 -173.86 46.32 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 1.6 p30 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.639 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 mmt . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.591 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 0.7 OUTLIER -152.7 -179.92 8.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.609 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 2' ' ' GLU . . . 73.68 38.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.648 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.572 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -66.4 -43.81 54.5 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.938 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 4' ' ' SER . 58.5 Cg_endo -86.83 176.72 4.44 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.714 2.276 . . . . 0.0 112.155 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 7' ' ' SER . . . -115.12 20.18 15.17 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.583 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.422 ' O ' ' O ' ' A' ' 6' ' ' ALA . 1.8 t 55.82 109.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.644 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.72 173.86 49.56 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -66.62 -52.61 0.71 Allowed 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.739 2.292 . . . . 0.0 112.15 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.401 ' NE ' ' H ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER 40.08 -104.72 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.487 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.468 ' C ' HD22 ' A' ' 12' ' ' LEU . 56.6 t-80 -173.33 107.47 0.15 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.409 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.871 HD22 ' N ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -108.63 172.87 6.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.893 -179.861 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.0 mtm -88.88 133.19 34.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.197 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.18 145.12 13.68 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.589 -179.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -41.02 -55.46 2.07 Favored 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 122.249 1.966 . . . . 0.0 112.248 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -51.03 69.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.152 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.429 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 1.8 mm -48.58 -33.44 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.559 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -77.22 -60.9 2.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.521 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -46.39 -40.89 12.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.581 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.7 t -66.52 -44.3 82.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.56 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.466 ' OD1' ' CE1' ' A' ' 32' ' ' TYR . 68.4 m-20 -66.93 -11.53 56.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.64 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -133.23 28.47 4.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.464 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -68.55 118.34 11.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.523 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -41.51 115.62 0.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.52 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.84 81.07 1.39 Allowed Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.77 HD12 ' NE1' ' A' ' 98' ' ' TRP . 4.5 pt -103.56 -173.98 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.84 0.352 . . . . 0.0 110.575 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.416 ' H ' ' H ' ' A' ' 28' ' ' ARG . . . 166.46 9.66 0.03 OUTLIER Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.545 ' O ' ' CZ2' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -79.35 172.42 13.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 110.715 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.458 ' ND1' ' N ' ' A' ' 29' ' ' HIS . 9.2 p-80 -105.79 60.92 0.66 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.934 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -150.72 52.71 0.87 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.66 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.6 m -46.21 137.77 5.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.517 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.466 ' CE1' ' OD1' ' A' ' 21' ' ' ASN . 1.3 m-85 -106.79 143.21 35.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.453 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.551 HD22 ' OE2' ' A' ' 72' ' ' GLU . 9.3 tp -135.74 111.95 9.73 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.49 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.414 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -105.49 115.83 30.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.869 179.306 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.459 ' C ' ' CD1' ' A' ' 35' ' ' TYR . 26.3 p90 -112.98 147.39 37.24 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.176 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -148.91 137.18 20.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.26 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -95.84 146.08 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.673 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -144.25 118.95 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.394 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -79.52 133.48 36.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.407 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 mp -91.79 130.57 37.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.549 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -135.24 102.78 5.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.542 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 55.36 38.6 30.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.625 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.98 -27.13 9.41 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 m -72.16 122.07 20.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.524 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 p -91.67 116.86 29.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.605 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.0 t -103.03 100.67 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.549 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -78.65 125.63 29.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.485 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.6 mtm -87.9 140.52 29.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.619 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.89 -41.51 13.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.43 62.72 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.436 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.663 ' NE2' HD13 ' A' ' 82' ' ' LEU . 59.9 t-80 -170.95 2.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.517 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.424 ' H ' ' H ' ' A' ' 51' ' ' HIS . 25.6 ptt180 -101.01 151.5 21.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.579 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.81 174.85 36.68 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -145.21 141.6 28.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 110.73 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mt -126.96 177.71 6.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.416 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -136.43 145.12 44.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.603 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 56' ' ' HIS . 0.4 OUTLIER -51.4 -175.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -42.32 146.88 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.546 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -139.88 -77.57 0.32 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.559 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -135.68 16.52 3.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.521 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -87.04 33.31 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.542 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 62' ' ' LEU . 10.9 mp -85.64 -39.48 17.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.587 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.611 HD12 ' N ' ' A' ' 63' ' ' LEU . 9.7 mp -73.25 -20.13 60.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.58 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 6.9 m -76.98 -15.41 59.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.526 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.5 48.19 1.71 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.577 ' CD1' ' NH1' ' A' ' 69' ' ' ARG . 26.1 m-85 -152.24 71.65 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.754 0.312 . . . . 0.0 110.572 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -93.95 116.39 28.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.551 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.4 69.96 1.21 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.577 ' NH1' ' CD1' ' A' ' 66' ' ' PHE . 4.0 ttt180 -134.23 107.95 7.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 110.567 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.38 159.88 14.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.624 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.51 -31.77 72.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.344 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.551 ' OE2' HD22 ' A' ' 33' ' ' LEU . 20.4 mp0 -53.2 -52.24 59.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.385 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 73' ' ' LEU . 9.7 mp -57.46 -46.43 83.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.294 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -34.43 69.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.555 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.413 ' C ' ' N ' ' A' ' 77' ' ' ASP . 9.6 t80 -74.67 -64.36 1.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.453 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 tp -47.32 -18.99 0.13 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.67 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 75' ' ' PHE . 13.8 t70 -67.0 -53.9 26.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.647 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 pp -77.95 -14.38 59.55 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.399 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.424 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 3.8 t -48.26 -59.41 6.02 Favored Pre-proline 0 CA--C 1.534 0.355 0 C-N-CA 120.666 -0.413 . . . . 0.0 111.061 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 9.6 Cg_endo -52.3 -25.97 25.78 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 121.777 1.652 . . . . 0.0 112.057 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.2 p -53.79 -12.23 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.459 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.663 HD13 ' NE2' ' A' ' 51' ' ' HIS . 10.5 mt -94.35 -26.33 16.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.344 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.418 ' CB ' ' O ' ' A' ' 82' ' ' LEU . 5.3 tt0 75.6 28.52 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.655 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 mt -42.4 104.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.325 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.43 162.9 28.53 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.735 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.91 4.08 3.42 Favored 'Trans proline' 0 C--N 1.309 -1.54 0 C-N-CA 122.73 2.287 . . . . 0.0 112.279 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -38.75 -63.63 0.5 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -127.87 179.6 5.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.389 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.2 mm -84.77 152.94 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.043 0.449 . . . . 0.0 110.556 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -135.36 172.09 13.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.548 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.617 ' NH1' ' NH2' ' A' ' 123' ' ' ARG . 8.6 ttt180 -149.69 106.7 3.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.595 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.2 t -94.0 115.49 32.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.368 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.48 121.99 42.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.749 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 32.3 m0 -100.78 131.16 46.8 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.455 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -118.79 102.82 9.1 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.94 148.3 14.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.169 0.509 . . . . 0.0 111.789 -178.239 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.598 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 15.5 p -96.64 -23.56 16.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.14 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.77 ' NE1' HD12 ' A' ' 26' ' ' ILE . 4.8 m95 -112.11 170.0 8.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.504 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.663 ' OG ' HG23 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -79.79 158.65 72.76 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.528 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.434 ' O ' ' O ' ' A' ' 99' ' ' SER . 56.2 Cg_exo -42.48 172.92 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.304 0 C-N-CA 122.546 2.164 . . . . 0.0 112.375 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 102' ' ' PHE . 3.4 p -152.33 100.41 2.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.437 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.633 ' HA ' HD23 ' A' ' 135' ' ' LEU . 0.1 OUTLIER 76.27 86.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.388 0.613 . . . . 0.0 109.813 -179.596 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.889 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 92.8 p -51.22 -29.83 15.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.41 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -81.71 -21.44 37.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.775 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -84.74 -58.83 2.07 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 11.9 m -78.25 -65.47 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.721 0.296 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.889 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -54.67 -25.36 26.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.708 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -70.59 -57.85 6.3 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -57.73 -40.66 80.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.19 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 85.5 t -68.79 -54.02 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.182 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -41.91 -58.79 1.92 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.241 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.85 -40.03 69.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.45 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 117' ' ' ASN . 10.2 t80 -53.96 -40.38 66.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.74 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.44 ' C ' ' N ' ' A' ' 116' ' ' GLU . 25.7 mt -75.62 -55.2 5.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.572 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -46.66 -19.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.254 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 114' ' ' LEU . 2.5 mt-10 -110.0 -38.61 5.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.644 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.569 ' O ' HG12 ' A' ' 120' ' ' VAL . 50.9 m-80 -132.59 61.73 1.66 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.908 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.26 5.66 3.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.647 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.402 ' CD2' ' C ' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -76.21 5.77 6.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.458 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.569 HG12 ' O ' ' A' ' 117' ' ' ASN . 10.2 p -122.0 142.98 36.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.355 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -91.13 117.03 29.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.357 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.568 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -105.45 120.83 42.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.488 -179.685 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.617 ' NH2' ' NH1' ' A' ' 91' ' ' ARG . 30.6 mtt180 -127.59 131.85 49.89 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.836 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.425 ' CD1' HD12 ' A' ' 122' ' ' LEU . 1.6 mp -106.23 131.86 54.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.693 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.522 ' CE1' ' OE2' ' A' ' 157' ' ' GLU . 63.5 m-85 -125.42 100.77 6.64 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.343 178.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -90.57 107.78 19.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.515 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.598 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -72.52 -39.6 67.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.423 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.544 ' CB ' HD11 ' A' ' 26' ' ' ILE . 5.6 tpp180 -131.95 164.64 25.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.177 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.663 HG23 ' OG ' ' A' ' 99' ' ' SER . 4.8 mp -124.21 114.73 42.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.821 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.523 ' CD1' ' O ' ' A' ' 129' ' ' ILE . 27.9 m-85 -153.37 109.1 3.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.434 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -140.84 -177.2 4.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.576 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -106.74 -57.47 2.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.711 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 133' ' ' ASP . 0.0 OUTLIER -98.49 162.62 21.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.573 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -70.67 12.17 0.44 Allowed 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.59 2.193 . . . . 0.0 112.202 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.633 HD23 ' HA ' ' A' ' 102' ' ' PHE . 1.1 mp -57.77 -20.13 32.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.63 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.625 ' CD1' ' N ' ' A' ' 137' ' ' LYS . 0.5 OUTLIER -53.88 -31.05 48.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.368 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.625 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 12.6 ttmt -69.34 -39.72 77.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.266 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.65 -26.62 68.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.313 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -70.79 -55.2 9.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.347 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.2 mt -54.14 -31.98 53.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.465 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -80.57 -60.7 2.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.677 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.9 mmm -52.44 -21.61 3.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.366 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 9.3 mt -78.44 -59.65 2.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.364 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -49.83 -29.39 7.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.523 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.97 -42.73 47.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.435 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.49 -24.0 65.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.507 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 96.89 65.11 0.92 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -136.99 152.36 50.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.749 0.309 . . . . 0.0 110.429 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -91.47 104.89 17.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.667 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -104.31 113.82 42.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.569 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.5 m -151.31 161.53 42.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.516 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -81.93 137.65 20.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.458 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.59 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 5.8 ttm -49.59 143.57 6.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.491 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 33.4 p -110.61 172.36 6.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.557 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -63.84 -41.17 97.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.528 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -62.07 -47.24 85.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.444 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.522 ' OE2' ' CE1' ' A' ' 125' ' ' PHE . 12.6 mt-10 -59.11 -31.77 69.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.454 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.59 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.7 OUTLIER -64.72 -44.0 91.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.446 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -57.66 -47.01 83.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.634 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.596 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -70.44 -55.48 8.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.677 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.596 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 9.7 t -54.29 -23.62 15.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' TRP . . . . . 0.63 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.7 t-105 -73.96 -70.3 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.973 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 163' ' ' ASP . . . . . 0.63 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 3.9 p30 -64.38 -14.32 55.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 -179.416 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 88.7 m -83.77 -24.92 30.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.928 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -121.13 18.74 11.6 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.147 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.501 ' C ' ' H ' ' A' ' 168' ' ' HIS . 72.4 t -139.15 132.63 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.859 0.361 . . . . 0.0 110.803 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 167' ' ' ASP . . . . . 0.5 ' C ' ' H ' ' A' ' 169' ' ' GLN . 2.0 p30 -72.56 41.06 0.09 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.172 0.51 . . . . 0.0 109.763 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.559 ' CG ' ' H ' ' A' ' 171' ' ' CYS . 0.1 OUTLIER -52.51 -8.72 0.09 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.304 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 169' ' ' GLN . . . . . 0.5 ' H ' ' C ' ' A' ' 167' ' ' ASP . 39.9 mm-40 46.68 14.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.559 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 170' ' ' GLY . . . . . 0.553 ' H ' ' CG ' ' A' ' 168' ' ' HIS . . . 112.58 37.56 1.42 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.559 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 2.4 m -127.1 80.64 71.26 Favored Pre-proline 0 C--N 1.333 -0.148 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -52.02 165.39 0.88 Allowed 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.616 2.21 . . . . 0.0 112.227 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.533 ' CE2' ' O ' ' A' ' 174' ' ' GLN . 0.0 OUTLIER -122.79 134.46 54.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.189 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.533 ' O ' ' CE2' ' A' ' 173' ' ' PHE . 11.1 mt-30 -91.51 152.57 43.67 Favored Pre-proline 0 C--N 1.33 -0.281 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.456 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -71.94 153.69 58.17 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.263 1.976 . . . . 0.0 112.194 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' TRP . . . . . 0.566 ' CE2' ' CD2' ' A' ' 179' ' ' LEU . 14.6 p90 -84.47 132.64 34.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.492 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -45.33 95.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.564 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 176' ' ' TRP . . . 154.05 -15.46 0.59 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 179' ' ' LEU . . . . . 0.566 ' CD2' ' CE2' ' A' ' 176' ' ' TRP . 0.2 OUTLIER -47.77 -47.9 30.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.768 0.318 . . . . 0.0 110.514 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 180' ' ' ASP . . . . . 0.405 ' CG ' ' N ' ' A' ' 181' ' ' GLU . 17.7 p-10 -53.08 -53.04 56.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.64 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 181' ' ' GLU . . . . . 0.405 ' N ' ' CG ' ' A' ' 180' ' ' ASP . 44.9 mt-10 -61.52 -54.05 48.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.756 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -51.87 -60.78 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.628 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 92.0 p -45.05 -43.54 9.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.06 -36.53 79.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.541 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -71.77 -58.63 3.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.593 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 42.9 mt -59.43 -61.28 2.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.609 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 24.0 p -49.86 -36.58 27.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -55.65 -51.48 54.66 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 189' ' ' ARG . . . . . 0.568 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 1.5 mtm180 -59.34 -61.52 2.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.759 0.314 . . . . 0.0 110.694 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.4 tp -45.37 -53.54 8.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.605 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 18.7 mmm-85 -54.6 -29.18 50.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 192' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -64.71 -47.85 76.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.456 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 193' ' ' ILE . . . . . 0.534 ' N ' HD12 ' A' ' 193' ' ' ILE . 1.7 mp -59.64 -35.2 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.505 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 67.4 mt -77.05 -19.53 57.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.657 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -99.95 91.17 4.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.592 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.11 156.68 16.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.595 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -74.61 148.18 40.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.555 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 136.06 -64.96 0.57 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.024 -0.988 . . . . 0.0 110.586 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 mtt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.8 149.0 41.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.611 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.77 -99.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.572 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.4 m -171.14 69.72 0.5 Allowed Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.541 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -49.02 145.26 14.13 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.861 2.374 . . . . 0.0 112.098 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -151.65 133.13 14.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.521 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 p -93.64 125.7 38.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.606 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -154.26 67.74 0.31 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -49.39 111.4 0.49 Allowed 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.799 2.333 . . . . 0.0 112.151 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.7 mtm-85 -149.46 178.36 8.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.568 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.15 82.32 2.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.546 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.664 HD23 ' N ' ' A' ' 166' ' ' VAL . 8.6 mp -107.38 173.65 6.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.243 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.484 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 0.5 OUTLIER -62.71 157.49 20.87 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.63 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.81 150.13 58.37 Favored Pre-proline 0 CA--C 1.534 0.335 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.698 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -41.85 -55.45 2.38 Favored 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.209 1.939 . . . . 0.0 112.148 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -52.27 -51.07 60.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.189 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.4 mm -51.69 -34.54 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.859 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -82.44 -61.27 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.948 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.76 -24.17 8.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.693 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.9 p -82.4 -62.76 1.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.713 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.579 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 0.5 OUTLIER -54.18 -33.37 57.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.553 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -103.66 24.49 11.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.574 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -68.46 74.05 0.24 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.537 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 25.9 m-20 46.72 -136.5 0.79 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.542 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.68 136.95 48.81 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.3 pt -134.28 -175.58 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.654 0.264 . . . . 0.0 110.352 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 175.57 44.97 0.06 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.778 ' H ' ' HE ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -125.99 142.06 51.68 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.871 0.367 . . . . 0.0 110.166 179.523 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.412 ' ND1' ' N ' ' A' ' 29' ' ' HIS . 7.7 m80 -63.61 80.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.763 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -166.9 36.96 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.592 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.784 HG22 ' CD2' ' A' ' 98' ' ' TRP . 3.1 p -46.52 155.79 0.21 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -122.26 145.13 48.51 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.719 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.705 HD22 ' OE2' ' A' ' 72' ' ' GLU . 7.2 tp -139.94 111.97 7.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.146 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.435 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -104.25 131.91 51.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.089 179.592 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.599 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 10.3 p90 -127.28 135.37 50.48 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.128 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.494 ' OE1' HG21 ' A' ' 164' ' ' THR . 0.1 OUTLIER -135.98 136.96 40.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.898 179.443 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -95.52 144.29 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.005 0.431 . . . . 0.0 110.9 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -147.1 118.39 7.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.347 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.5 ptt85 -86.75 148.75 25.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.476 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mt -103.6 99.46 9.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.607 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.62 100.48 12.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.594 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 50.53 58.02 5.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.64 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 71.85 -6.51 9.32 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.97 102.5 15.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 110.58 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.33 103.58 3.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.563 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.7 t -101.29 106.34 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.566 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -80.86 137.7 36.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.451 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.5 mtm -102.33 141.62 34.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.694 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -92.34 -50.47 5.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.616 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -76.72 49.81 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.306 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.765 ' NE2' HD12 ' A' ' 82' ' ' LEU . 40.2 t-80 -169.91 67.02 0.05 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.22 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.635 ' NH2' HD21 ' A' ' 12' ' ' LEU . 25.2 ptt85 -166.89 167.55 14.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.289 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -168.67 -174.88 37.72 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 9.6 p90 -152.7 135.84 15.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.689 0.28 . . . . 0.0 110.707 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mp -126.05 163.15 23.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.461 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -128.8 143.58 50.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.488 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.461 ' ND2' ' H ' ' A' ' 58' ' ' GLN . 1.9 t-20 -59.93 159.12 9.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.552 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.461 ' H ' ' ND2' ' A' ' 57' ' ' ASN . 46.9 tt0 -138.5 54.76 1.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.547 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.19 93.47 1.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -172.52 94.97 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.659 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.539 ' O ' ' N ' ' A' ' 65' ' ' GLY . 42.3 t30 -83.96 109.26 17.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.335 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.652 ' H ' HD12 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -45.72 -13.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.865 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.676 HD12 ' N ' ' A' ' 63' ' ' LEU . 8.2 mp -88.63 -52.09 5.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.123 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.22 -32.5 5.96 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.944 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 61' ' ' ASN . . . 86.94 49.68 3.97 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -155.3 -66.63 0.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.773 0.321 . . . . 0.0 110.723 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.621 ' CG ' ' N ' ' A' ' 68' ' ' GLY . 2.0 t80 -49.1 160.55 0.2 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.667 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.621 ' N ' ' CG ' ' A' ' 67' ' ' TYR . . . 165.56 -159.23 32.37 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -137.34 131.54 32.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 0.0 110.496 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.401 ' ND1' ' N ' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -69.62 156.04 39.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.513 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.16 -29.13 65.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.455 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.705 ' OE2' HD22 ' A' ' 33' ' ' LEU . 3.4 mp0 -51.2 -47.07 62.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.612 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 25.2 mt -69.47 -58.07 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.807 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 48.8 mtt-85 -44.2 -43.72 7.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.691 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.599 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 32.5 t80 -61.58 -51.18 69.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.593 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.5 tp -56.59 -19.47 16.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.471 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.9 -45.2 68.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.476 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.85 3.81 55.01 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.304 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.455 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.6 t -55.72 -49.19 94.21 Favored Pre-proline 0 CA--C 1.535 0.388 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.077 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 36.4 Cg_endo -70.66 -16.47 33.78 Favored 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 121.337 1.358 . . . . 0.0 111.745 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.2 p -56.75 -22.09 33.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.216 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.765 HD12 ' NE2' ' A' ' 51' ' ' HIS . 4.0 mm? -72.42 -38.9 68.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.178 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.486 ' CB ' ' O ' ' A' ' 82' ' ' LEU . 4.0 tt0 81.59 46.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.877 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.414 HD23 ' CE2' ' A' ' 90' ' ' TYR . 1.3 mp -68.06 155.95 38.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.21 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -122.26 159.05 53.85 Favored Pre-proline 0 CA--C 1.53 0.181 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.567 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -74.84 -1.98 11.9 Favored 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.46 2.107 . . . . 0.0 112.227 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.1 -77.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.786 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.455 ' N ' ' OE1' ' A' ' 88' ' ' GLN . 3.3 mp0 -107.98 179.84 4.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.322 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.0 mm -84.62 153.33 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.377 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.604 ' HB2' HG22 ' A' ' 120' ' ' VAL . 20.5 m-85 -126.12 143.79 50.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.914 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -128.59 103.9 7.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.497 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.2 t -95.41 127.54 47.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.055 0.455 . . . . 0.0 110.432 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.3 120.55 39.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.972 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -100.84 132.51 46.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.252 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -124.84 103.71 8.22 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.81 146.5 16.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.43 . . . . 0.0 112.05 -177.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.675 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 0.4 OUTLIER -96.9 -25.69 15.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.756 178.906 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.784 ' CD2' HG22 ' A' ' 31' ' ' THR . 19.9 m95 -112.87 143.56 43.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.111 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.433 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.4 OUTLIER -74.79 164.51 60.89 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.605 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 99' ' ' SER . 71.1 Cg_exo -42.27 171.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.549 2.166 . . . . 0.0 112.202 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -124.05 -48.53 1.87 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.299 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.525 ' O ' ' N ' ' A' ' 105' ' ' GLY . 2.4 t80 -140.38 106.56 5.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.829 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.881 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 89.1 p -40.5 -35.25 0.43 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.046 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -84.78 -23.68 29.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.312 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -84.79 -62.0 1.72 Allowed Glycine 0 CA--C 1.526 0.745 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.236 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.69 -62.84 1.31 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.654 0.264 . . . . 0.0 110.966 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.881 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -57.42 -37.75 73.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.92 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -56.59 -62.71 6.05 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -51.46 -41.13 60.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.766 0.317 . . . . 0.0 110.712 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 92.8 t -68.2 -34.96 69.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.702 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -62.45 -58.95 5.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.567 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -48.96 -51.45 30.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.402 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.52 ' O ' ' N ' ' A' ' 117' ' ' ASN . 41.3 t80 -52.78 -47.83 67.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.592 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.408 ' C ' ' N ' ' A' ' 116' ' ' GLU . 2.1 mt -63.33 -58.69 6.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.717 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -48.06 -19.6 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.547 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 114' ' ' LEU . 4.2 tp10 -107.61 -27.31 10.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 113' ' ' PHE . 67.1 m-80 -117.51 40.1 3.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 16.2 p -45.14 -22.57 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.795 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.78 ' CD2' HG23 ' A' ' 120' ' ' VAL . 0.1 OUTLIER -77.67 8.9 3.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.931 0.396 . . . . 0.0 110.508 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.78 HG23 ' CD2' ' A' ' 119' ' ' HIS . 40.2 t -135.24 97.54 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.545 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -96.59 148.89 22.37 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.595 ' O ' HD12 ' A' ' 122' ' ' LEU . 0.3 OUTLIER -143.62 153.31 42.39 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.858 -179.678 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.617 ' C ' HD12 ' A' ' 124' ' ' ILE . 7.9 ttp180 -114.35 146.51 40.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.079 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.617 HD12 ' C ' ' A' ' 123' ' ' ARG . 1.8 mp -112.82 140.02 34.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.097 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -127.5 99.03 5.44 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.167 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -78.54 114.33 17.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.602 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.675 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -85.24 -42.48 14.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.653 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.48 HH22 ' CE1' ' A' ' 182' ' ' HIS . 0.1 OUTLIER -137.07 152.96 50.64 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.959 -179.769 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -113.69 132.37 62.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.487 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -177.63 126.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.502 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.457 ' C ' ' H ' ' A' ' 133' ' ' ASP . 0.6 OUTLIER 174.59 133.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.527 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.72 10.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.498 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.513 ' C ' ' H ' ' A' ' 135' ' ' LEU . 69.3 m-20 -124.8 79.86 63.32 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.541 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.5 ' C ' ' H ' ' A' ' 136' ' ' TYR . 51.4 Cg_exo -51.61 -1.81 0.06 OUTLIER 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.723 2.282 . . . . 0.0 112.622 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.513 ' H ' ' C ' ' A' ' 133' ' ' ASP . 2.1 mt -54.36 -6.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.735 0.303 . . . . 0.0 110.727 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.503 ' CG ' ' N ' ' A' ' 137' ' ' LYS . 0.4 OUTLIER -43.04 -38.7 2.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.87 -179.854 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.503 ' N ' ' CG ' ' A' ' 136' ' ' TYR . 2.6 ptpt -51.11 -60.4 3.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.495 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -54.73 -36.64 64.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.483 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.53 -30.93 71.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.563 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.441 HD11 HG11 ' A' ' 150' ' ' VAL . 0.1 OUTLIER -69.42 -49.15 57.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.474 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -71.69 -53.29 14.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.509 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -45.34 -54.92 6.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.389 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 36.7 tp -56.83 -44.38 82.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.577 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -55.37 -23.64 25.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.621 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -84.81 3.15 39.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -101.62 -15.03 17.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.563 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 106.81 -26.78 18.4 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -56.95 158.25 5.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.515 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -104.61 146.13 29.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.664 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.441 HG11 HD11 ' A' ' 140' ' ' LEU . 46.6 t -132.09 126.67 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.496 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.26 161.92 41.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.628 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.493 HG21 ' OG ' ' A' ' 187' ' ' SER . 1.1 tp -87.11 149.94 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.424 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 8.6 mmm -56.89 153.88 10.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.801 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 21.5 p -132.15 142.52 49.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.319 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -40.69 -47.13 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.688 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.46 -53.93 52.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.461 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -54.41 -33.33 59.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.391 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.7 -39.47 94.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.33 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -61.24 -45.55 94.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.462 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.6 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -70.12 -53.23 18.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.445 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.6 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 4.6 t -58.35 -23.55 57.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.655 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' TRP . . . . . 0.572 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 4.8 t-105 -71.74 -64.75 0.87 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 163' ' ' ASP . . . . . 0.572 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -69.1 -14.22 62.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.385 -179.208 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.518 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 96.3 m -85.02 -23.71 28.52 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.323 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.484 ' O ' ' SD ' ' A' ' 13' ' ' MET . 11.2 m-85 -121.54 18.76 11.26 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.524 -179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.664 ' N ' HD23 ' A' ' 12' ' ' LEU . 88.5 t -137.54 132.84 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.246 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 167' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' A' ' 169' ' ' GLN . 1.4 p-10 -73.68 36.36 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.168 0.509 . . . . 0.0 109.901 179.335 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.706 ' CG ' ' H ' ' A' ' 171' ' ' CYS . 0.3 OUTLIER -49.25 -11.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.932 -179.601 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 169' ' ' GLN . . . . . 0.483 ' H ' ' C ' ' A' ' 167' ' ' ASP . 1.9 mt-30 49.3 9.75 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.922 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 170' ' ' GLY . . . . . 0.652 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 122.18 37.74 0.63 Allowed Glycine 0 CA--C 1.528 0.852 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.706 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.6 OUTLIER -127.54 88.81 52.77 Favored Pre-proline 0 CA--C 1.536 0.414 0 N-CA-C 110.501 -0.185 . . . . 0.0 110.501 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -75.39 131.97 14.41 Favored 'Trans proline' 0 C--N 1.315 -1.22 0 C-N-CA 121.73 1.62 . . . . 0.0 112.171 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.528 ' CD1' ' O ' ' A' ' 173' ' ' PHE . 0.0 OUTLIER -81.68 146.0 30.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.786 -179.657 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.485 ' O ' ' CE2' ' A' ' 173' ' ' PHE . 0.0 OUTLIER -94.46 157.27 37.56 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.445 -179.759 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -69.19 132.36 24.06 Favored 'Trans proline' 0 N--CA 1.492 1.441 0 C-N-CA 122.489 2.126 . . . . 0.0 112.054 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -70.32 153.73 42.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.58 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.85 86.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.536 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 158.3 -25.84 0.4 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 179' ' ' LEU . 0.7 OUTLIER -41.78 -43.75 3.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.832 0.349 . . . . 0.0 110.606 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.19 -62.77 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.666 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -58.75 -55.28 37.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.497 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 182' ' ' HIS . . . . . 0.48 ' CE1' HH22 ' A' ' 128' ' ' ARG . 16.6 m-70 -45.4 -54.01 7.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.506 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 63.5 p -50.72 -48.59 58.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.626 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -60.8 -37.13 80.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.584 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -70.91 -65.18 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.615 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 3.5 mt -52.18 -52.56 51.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.581 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 187' ' ' SER . . . . . 0.493 ' OG ' HG21 ' A' ' 152' ' ' ILE . 8.7 m -60.51 -37.79 82.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.537 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -53.02 -53.92 31.5 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -56.5 -50.67 71.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.843 0.354 . . . . 0.0 110.612 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -59.7 -29.48 68.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.482 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 13.6 ttm-85 -78.69 -20.43 50.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -80.34 -51.3 9.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.653 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 193' ' ' ILE . . . . . 0.583 HG23 ' N ' ' A' ' 194' ' ' LEU . 16.1 tt -62.27 -46.41 96.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.586 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.583 ' N ' HG23 ' A' ' 193' ' ' ILE . 4.0 mt -49.03 -31.53 7.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.522 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.91 -61.28 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.63 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -82.73 -131.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.551 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 53.94 35.44 21.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 179.06 62.4 0.07 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.56 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -66.57 -162.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.522 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -147.21 111.13 5.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.524 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.06 162.8 48.24 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.432 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.59 ' O ' ' HB2' ' A' ' 6' ' ' ALA . 40.3 Cg_endo -69.82 -83.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 122.624 2.216 . . . . 0.0 112.143 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' A' ' 5' ' ' PRO . . . 168.49 104.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.512 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.8 t -68.64 -3.09 10.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.55 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.37 58.01 7.68 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -70.01 148.92 64.49 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.744 2.296 . . . . 0.0 112.05 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.486 ' C ' ' CG ' ' A' ' 11' ' ' HIS . 14.1 mtm180 -135.81 -174.31 3.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.465 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.486 ' CG ' ' C ' ' A' ' 10' ' ' ARG . 0.6 OUTLIER 77.1 33.77 0.42 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.665 0.745 . . . . 0.0 109.119 -179.537 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.617 HD12 ' C ' ' A' ' 166' ' ' VAL . 0.1 OUTLIER -100.04 166.68 10.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.471 -1.24 . . . . 0.0 109.394 -179.061 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.6 ptp -62.09 168.02 3.57 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.824 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.91 154.83 75.51 Favored Pre-proline 0 CA--C 1.536 0.416 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.069 -178.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -43.21 -56.06 2.5 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.552 2.168 . . . . 0.0 112.455 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -51.01 71.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.853 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.2 mm -48.95 -31.39 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.681 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -82.44 -61.04 2.0 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.68 -33.28 22.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.719 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.3 p -80.67 -36.56 32.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.457 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.536 ' ND2' ' CG ' ' A' ' 32' ' ' TYR . 10.9 t30 -67.66 -35.03 78.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.56 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -105.22 18.35 22.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.591 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -43.79 113.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.597 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.451 ' OD1' ' NH1' ' A' ' 128' ' ' ARG . 12.0 t30 -46.26 118.33 1.89 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.619 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.46 98.61 0.04 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.463 HD11 ' CD2' ' A' ' 130' ' ' TYR . 1.2 pp -111.18 -175.68 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.859 0.362 . . . . 0.0 110.636 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.09 -8.89 0.07 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.521 ' CD ' ' H ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -83.49 173.13 11.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.828 0.347 . . . . 0.0 110.787 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -107.54 69.52 0.75 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.558 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.414 ' HB3' ' HZ3' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -136.44 51.24 2.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.782 0.325 . . . . 0.0 110.582 179.846 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.776 HG22 ' CD2' ' A' ' 98' ' ' TRP . 71.5 p -46.5 131.92 10.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.708 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.536 ' CG ' ' ND2' ' A' ' 21' ' ' ASN . 0.5 OUTLIER -107.67 142.87 36.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.832 -179.828 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.657 ' C ' HD23 ' A' ' 33' ' ' LEU . 6.1 tt -139.31 116.18 10.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.527 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -105.65 147.04 28.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.412 179.853 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -134.69 140.57 46.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.068 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -144.15 129.38 18.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.298 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.408 ' CG1' ' SD ' ' A' ' 48' ' ' MET . 1.4 p -99.4 142.87 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.794 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -140.09 129.57 24.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.374 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -80.75 134.1 35.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.54 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mp -96.4 130.78 43.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.478 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -151.46 107.33 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.484 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.1 m120 52.9 46.74 26.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.538 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.64 14.21 66.95 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 m -103.22 106.81 17.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.713 0.292 . . . . 0.0 110.597 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.411 ' O ' ' OG ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -82.32 107.74 15.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.576 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.427 ' O ' HG12 ' A' ' 46' ' ' VAL . 25.5 t -102.78 98.42 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.579 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -70.26 128.42 36.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.549 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.518 ' O ' ' NE ' ' A' ' 52' ' ' ARG . 56.9 mtt -66.06 163.02 18.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.494 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.47 -49.96 4.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.507 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -108.7 77.08 1.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.532 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.408 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 53.0 t-80 -167.78 1.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.635 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.6 ' NH1' HG21 ' A' ' 164' ' ' THR . 10.5 mtt180 -100.71 135.33 42.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.377 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.57 -166.18 14.41 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -167.53 140.83 3.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.74 0.305 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.1 mt -122.04 178.37 4.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.382 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.543 ' C ' ' HB2' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -139.23 153.6 47.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.553 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.45 ' N ' ' HB2' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -42.06 132.33 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.533 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.521 ' OE1' ' NE ' ' A' ' 74' ' ' ARG . 11.2 tt0 -99.74 163.13 12.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.655 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -152.2 -139.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.556 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt 54.28 178.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.535 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 64' ' ' CYS . 2.6 m-80 43.1 28.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.547 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.579 ' H ' HD12 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -41.49 -38.41 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.541 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.409 ' C ' ' H ' ' A' ' 65' ' ' GLY . 1.6 mt -61.81 -40.19 94.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.542 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 61' ' ' ASN . 19.9 t -65.57 -0.07 1.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.514 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 63' ' ' LEU . . . 88.63 23.75 35.36 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -94.82 9.73 37.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 0.0 110.58 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -42.2 111.88 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.567 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 41.0 75.27 0.13 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.97 135.17 34.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.851 0.358 . . . . 0.0 110.599 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -74.6 126.28 30.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.518 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.543 ' HB2' ' C ' ' A' ' 56' ' ' HIS . . . -50.19 -30.82 12.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.588 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -54.1 -64.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.653 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.4 mt -42.9 -41.08 3.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.684 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.521 ' NE ' ' OE1' ' A' ' 58' ' ' GLN . 10.5 ttt180 -63.06 -41.03 99.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.636 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.413 ' CE1' ' CG2' ' A' ' 79' ' ' VAL . 2.0 t80 -65.87 -45.54 81.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.584 HD22 ' OE1' ' A' ' 109' ' ' GLU . 2.6 tp -65.18 -20.14 66.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.588 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -69.39 -33.11 72.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.185 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.679 ' C ' HD12 ' A' ' 78' ' ' LEU . 3.7 pp -103.39 3.0 34.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.704 0.287 . . . . 0.0 111.03 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.432 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.5 t -55.93 -48.89 95.75 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 43.4 Cg_endo -73.49 -17.24 23.87 Favored 'Trans proline' 0 N--CA 1.489 1.26 0 C-N-CA 121.471 1.448 . . . . 0.0 111.817 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.57 -11.71 54.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.338 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.3 mt -85.59 6.22 28.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.526 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 46.38 41.02 8.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.695 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.7 mt -40.96 145.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.52 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -116.78 84.98 16.38 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.483 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.468 ' O ' ' N ' ' A' ' 88' ' ' GLN . 50.6 Cg_exo -50.76 -10.89 0.33 Allowed 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.335 2.024 . . . . 0.0 112.159 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.74 -23.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.456 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 86' ' ' PRO . 1.1 mp0 -139.57 178.87 6.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.342 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.1 mm -89.12 156.29 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.628 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -146.84 179.1 7.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.431 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -148.16 115.62 6.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.88 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.0 t -94.02 108.77 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.143 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.13 117.25 27.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.788 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -102.53 131.47 49.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.605 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.403 ' CE2' ' SG ' ' A' ' 161' ' ' CYS . 48.9 m-85 -124.64 102.95 7.86 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 178.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.85 141.81 23.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.72 -178.32 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.652 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 1.8 p -96.1 -23.05 16.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.676 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.776 ' CD2' HG22 ' A' ' 31' ' ' THR . 18.5 m95 -115.41 135.08 54.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.582 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.65 162.15 0.31 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.418 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -68.49 159.57 52.9 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.555 2.17 . . . . 0.0 112.097 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.6 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 10.4 p -100.83 -149.13 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.493 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.6 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -41.23 107.72 0.08 Allowed 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.202 0.525 . . . . 0.0 109.806 179.583 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.526 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 97.9 p -41.54 -24.56 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.624 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.452 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.2 OUTLIER -84.81 -26.26 27.6 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.573 -179.311 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -84.86 -61.9 1.73 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' CYS . . . . . 0.561 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.9 OUTLIER -75.66 -61.75 1.81 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.645 0.26 . . . . 0.0 111.655 -179.281 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -68.85 -35.6 77.13 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.253 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -64.47 -60.27 7.26 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.584 ' OE1' HD22 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -58.41 -29.11 65.83 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.313 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 106' ' ' CYS . 39.4 t -75.77 -36.43 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.116 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -62.84 -58.97 5.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.125 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.51 -50.93 51.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.274 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -50.44 -37.8 39.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.256 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.482 HD11 ' CB ' ' A' ' 122' ' ' LEU . 2.1 mt -73.66 -58.35 3.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.35 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -46.7 -16.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.409 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.464 ' N ' ' C ' ' A' ' 114' ' ' LEU . 1.7 tm-20 -107.91 -44.49 4.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.61 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.491 ' O ' ' N ' ' A' ' 119' ' ' HIS . 2.0 m-80 -98.89 35.43 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.77 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.443 ' C ' ' H ' ' A' ' 120' ' ' VAL . 0.0 OUTLIER -45.53 -15.66 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.831 -179.781 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.529 ' ND1' ' O ' ' A' ' 119' ' ' HIS . 4.7 p80 -76.23 17.1 0.38 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.958 0.409 . . . . 0.0 110.289 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.443 ' H ' ' C ' ' A' ' 118' ' ' THR . 42.7 t -139.37 140.33 37.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.374 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.57 ' NH1' ' NE2' ' A' ' 149' ' ' GLN . 3.1 mmp_? -91.52 120.28 32.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.442 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.487 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -99.14 112.33 24.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.567 -179.665 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.487 ' N ' HD13 ' A' ' 122' ' ' LEU . 35.8 mtp180 -117.08 118.82 33.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.141 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 11.3 mt -105.49 137.09 36.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.025 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -130.61 110.53 11.47 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.611 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -89.6 113.66 25.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.358 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.652 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -85.17 -45.39 12.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.784 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.515 ' NH2' HD11 ' A' ' 186' ' ' LEU . 0.0 OUTLIER -131.86 142.61 49.74 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.872 0.367 . . . . 0.0 110.725 179.897 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.8 mt -103.81 107.49 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.545 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.463 ' CD2' HD11 ' A' ' 26' ' ' ILE . 6.0 m-85 -148.76 117.53 6.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.586 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -146.22 -168.01 2.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.525 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -104.87 -23.56 12.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.691 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.468 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.2 OUTLIER -143.58 160.95 49.15 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.547 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.18 25.13 0.19 Allowed 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.606 2.204 . . . . 0.0 112.205 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.468 ' H ' ' C ' ' A' ' 133' ' ' ASP . 4.7 tt -61.44 -23.94 66.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.53 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.595 ' CD1' ' N ' ' A' ' 137' ' ' LYS . 0.6 OUTLIER -48.15 -27.92 2.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.585 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.595 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 28.3 tttt -61.68 -61.82 2.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.564 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -49.64 -41.75 43.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.527 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.19 -46.05 91.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.546 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.66 -53.07 26.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -69.02 -35.47 76.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.609 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -34.61 72.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.655 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 146' ' ' ALA . 7.6 mt -75.68 -51.09 13.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.578 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.43 HH21 ' CG ' ' A' ' 197' ' ' GLN . 40.6 ttt-85 -44.88 -38.6 4.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.531 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.75 -26.93 60.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.596 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -77.99 -4.37 46.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.607 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 69.06 8.58 58.61 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -75.52 150.5 38.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 110.55 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLN . . . . . 0.57 ' NE2' ' NH1' ' A' ' 121' ' ' ARG . 3.8 mt-30 -83.62 128.46 34.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.569 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.06 118.45 37.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.454 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.33 162.07 38.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.608 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.515 HG23 ' O ' ' A' ' 152' ' ' ILE . 1.1 tp -88.38 125.75 41.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.5 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.584 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 9.1 ttt -42.33 115.17 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.592 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 41.9 p -98.85 174.07 6.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.562 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -40.51 94.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.663 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -58.88 -58.67 7.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.344 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.457 ' CA ' ' OE1' ' A' ' 157' ' ' GLU . 0.0 OUTLIER -51.9 -35.02 44.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.225 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.584 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 0.7 OUTLIER -62.83 -55.05 29.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.371 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -43.93 -47.82 8.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.623 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.422 ' O ' ' OG1' ' A' ' 164' ' ' THR . 0.0 OUTLIER -69.11 -46.36 67.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.934 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.403 ' SG ' ' CE2' ' A' ' 95' ' ' PHE . 0.8 OUTLIER -60.29 -64.21 1.03 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.943 -179.545 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 162' ' ' TRP . . . . . 0.478 ' CD1' ' N ' ' A' ' 173' ' ' PHE . 1.2 t-105 -50.86 -32.85 21.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -75.92 -39.44 56.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.137 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.6 HG21 ' NH1' ' A' ' 52' ' ' ARG . 1.7 m -87.21 -16.1 36.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.173 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -107.48 17.08 23.17 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -178.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.617 ' C ' HD12 ' A' ' 12' ' ' LEU . 45.1 t -143.4 112.73 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.529 -0.469 . . . . 0.0 111.105 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 167' ' ' ASP . . . . . 0.479 ' HB3' ' H ' ' A' ' 12' ' ' LEU . 24.4 p-10 -72.36 52.66 0.27 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.95 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.52 ' CE1' ' O ' ' A' ' 171' ' ' CYS . 2.8 p-80 -93.99 -25.87 17.05 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.358 -0.537 . . . . 0.0 111.112 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 169' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 168' ' ' HIS . 59.5 mm-40 37.41 74.24 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.086 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 138.87 -17.48 3.22 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.97 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.52 ' O ' ' CE1' ' A' ' 168' ' ' HIS . 5.2 t -113.35 88.47 12.95 Favored Pre-proline 0 CA--C 1.534 0.339 0 CA-C-N 116.854 0.327 . . . . 0.0 110.943 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -79.14 166.66 22.6 Favored 'Trans proline' 0 C--N 1.314 -1.245 0 C-N-CA 122.001 1.801 . . . . 0.0 112.043 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.478 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 29.4 t80 -51.63 134.11 30.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -118.7 84.9 26.08 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.474 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_exo -48.18 131.27 21.89 Favored 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 122.265 1.977 . . . . 0.0 112.206 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 12.6 p90 -104.06 163.8 12.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.475 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -65.51 102.1 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.548 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 141.93 -29.71 2.19 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 1.4 tp -53.52 -28.15 29.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.747 0.308 . . . . 0.0 110.541 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 180' ' ' ASP . . . . . 0.417 ' CG ' ' H ' ' A' ' 181' ' ' GLU . 7.3 p-10 -74.9 -62.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.67 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 181' ' ' GLU . . . . . 0.417 ' H ' ' CG ' ' A' ' 180' ' ' ASP . 32.6 mt-10 -52.73 -51.38 60.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.614 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -51.21 -57.47 8.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.584 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 60.7 p -54.86 -31.97 60.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.634 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -63.57 -38.15 90.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.603 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -67.83 -53.5 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.636 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 186' ' ' LEU . . . . . 0.515 HD11 ' NH2' ' A' ' 128' ' ' ARG . 37.0 mt -59.38 -54.29 48.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.633 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 87.8 p -51.05 -36.56 40.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.553 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -66.8 -39.54 93.54 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -57.66 -47.68 81.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.33 . . . . 0.0 110.576 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.83 -43.44 98.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.57 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -70.74 -16.32 62.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.595 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -81.43 -38.26 26.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.597 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 3.4 tt -90.75 -26.64 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.656 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 2.6 tp -90.73 17.26 7.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.603 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -42.96 -51.91 5.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.535 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -51.51 141.44 15.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.623 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 197' ' ' GLN . . . . . 0.43 ' CG ' HH21 ' A' ' 144' ' ' ARG . 4.0 tp60 65.26 -147.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.548 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 76.52 -19.44 3.13 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 199' ' ' ASN . . . . . 0.415 ' H ' ' C ' ' A' ' 197' ' ' GLN . 63.9 t30 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.556 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mtm . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 64.81 131.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.512 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.72 -66.82 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.499 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.3 p -173.13 67.32 0.36 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.557 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -48.15 -63.11 0.34 Allowed 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.719 2.279 . . . . 0.0 112.139 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 50.57 95.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.563 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.7 p -68.32 -100.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.532 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -141.37 174.04 23.09 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -74.4 125.28 9.53 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.887 2.391 . . . . 0.0 112.108 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 11' ' ' HIS . 9.6 tpt180 -137.73 69.39 1.4 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.486 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.433 ' O ' ' O ' ' A' ' 10' ' ' ARG . 5.8 t60 40.36 95.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.77 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.86 HD22 ' N ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -104.79 174.07 6.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.284 179.686 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.5 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -69.41 169.13 12.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.617 179.381 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -73.32 123.19 89.23 Favored Pre-proline 0 CA--C 1.539 0.537 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.877 -179.289 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.438 ' O ' ' OG1' ' A' ' 19' ' ' THR . 80.9 Cg_exo -42.04 -17.64 0.07 OUTLIER 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 121.925 1.75 . . . . 0.0 112.138 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 14' ' ' ASP . 2.9 t-80 -77.55 -57.8 3.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.648 -179.376 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.6 pp -57.0 -21.26 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 120.741 -0.383 . . . . 0.0 110.38 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -77.14 -60.98 2.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.451 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -55.63 -24.12 31.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.607 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 m -85.39 -46.91 10.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.731 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.465 ' OD1' ' CE1' ' A' ' 32' ' ' TYR . 10.6 m120 -65.0 -9.94 25.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.744 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -130.37 27.07 5.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.574 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.06 4.01 6.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.548 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 61.54 150.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.546 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 53.04 97.94 0.01 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -148.04 169.85 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.874 0.368 . . . . 0.0 110.652 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.59 16.09 0.96 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.42 HH21 HD22 ' A' ' 21' ' ' ASN . 0.3 OUTLIER -99.53 154.84 17.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.821 0.343 . . . . 0.0 110.742 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -87.94 99.47 12.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.696 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.4 tttt -173.0 34.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.393 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.78 HG22 ' CD2' ' A' ' 98' ' ' TRP . 2.7 p -46.71 160.68 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.004 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.465 ' CE1' ' OD1' ' A' ' 21' ' ' ASN . 1.0 OUTLIER -134.59 145.04 48.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.285 179.662 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.672 ' C ' HD23 ' A' ' 33' ' ' LEU . 6.6 tt -139.19 123.1 17.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.693 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.594 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -111.88 116.51 30.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.398 179.64 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.508 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 4.4 p90 -109.68 143.36 39.56 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.733 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -132.91 160.08 38.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.297 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.607 HG21 ' CE1' ' A' ' 51' ' ' HIS . 27.3 t -129.7 130.77 66.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.571 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -136.92 128.31 28.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.601 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -81.37 125.76 30.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.429 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.63 119.47 26.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.607 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.82 114.67 6.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.597 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.454 ' C ' ' H ' ' A' ' 44' ' ' THR . 1.8 m-20 54.82 39.38 31.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.604 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.52 -20.26 2.24 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.454 ' H ' ' C ' ' A' ' 42' ' ' ASN . 19.1 m -77.12 111.18 12.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.552 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.8 p -90.35 110.44 21.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.563 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 46' ' ' VAL . 25.7 m -99.99 108.82 23.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.572 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.65 127.38 32.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.569 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 50.9 mtm -91.21 147.58 22.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.509 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -87.01 -50.25 6.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.643 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -81.6 56.66 3.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.417 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.607 ' CE1' HG21 ' A' ' 37' ' ' VAL . 20.9 t-80 -169.37 22.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.643 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.518 ' NH1' ' O ' ' A' ' 164' ' ' THR . 0.4 OUTLIER -133.66 170.53 15.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.463 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 176.81 -171.02 43.94 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -144.28 138.35 27.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.694 0.283 . . . . 0.0 110.674 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -119.45 134.47 55.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.346 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -103.32 157.98 16.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.577 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -50.18 153.46 1.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.557 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -93.3 143.91 25.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.645 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -175.88 57.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.551 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -75.51 -26.15 57.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.644 -179.91 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 40.81 28.54 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.776 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 60' ' ' LYS . 1.7 tp -86.97 -58.69 2.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.986 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.94 -51.4 5.5 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.443 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.477 ' C ' ' H ' ' A' ' 66' ' ' PHE . 4.0 m -83.12 0.34 45.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.267 -179.117 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 60.03 1.23 1.39 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.477 ' H ' ' C ' ' A' ' 64' ' ' CYS . 21.5 t80 -170.84 60.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 110.613 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -48.65 111.89 0.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.517 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -107.52 80.63 0.28 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.438 ' NH2' ' OD2' ' A' ' 77' ' ' ASP . 0.5 OUTLIER -137.44 113.34 9.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.866 0.365 . . . . 0.0 110.592 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.72 156.1 31.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.548 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.69 -39.9 95.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.596 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.42 ' OE1' ' SG ' ' A' ' 106' ' ' CYS . 30.5 mt-10 -45.17 -61.5 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.525 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.521 HD11 ' OE1' ' A' ' 109' ' ' GLU . 6.6 mp -52.12 -52.56 50.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.623 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.17 -58.03 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.441 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.508 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 40.7 t80 -57.6 -49.39 76.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.469 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.486 HD11 HG22 ' A' ' 110' ' ' VAL . 1.4 mt -57.08 -19.96 22.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.565 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.438 ' OD2' ' NH2' ' A' ' 69' ' ' ARG . 1.6 t0 -71.86 -44.39 63.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.241 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 pp -95.92 5.34 51.46 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.074 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.436 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.4 t -56.59 -48.09 97.79 Favored Pre-proline 0 CA--C 1.536 0.41 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.084 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 44.1 Cg_endo -74.13 -17.05 22.24 Favored 'Trans proline' 0 N--CA 1.488 1.198 0 C-N-CA 121.528 1.485 . . . . 0.0 111.856 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.9 t -69.14 -9.93 55.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.357 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.5 mt -79.63 12.1 2.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.54 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 41.63 43.34 2.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.563 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.6 mt -43.15 155.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.664 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.479 ' C ' ' H ' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -116.89 85.08 16.89 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.462 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.443 ' HA ' ' CD2' ' A' ' 119' ' ' HIS . 51.4 Cg_exo -49.79 -7.16 0.08 OUTLIER 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 122.375 2.05 . . . . 0.0 112.264 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.479 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -47.44 -56.38 7.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.47 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.479 ' N ' ' CD ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -112.99 -179.3 3.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.387 179.823 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.798 ' H ' HD12 ' A' ' 89' ' ' ILE . 0.2 OUTLIER -85.39 162.44 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.534 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -143.76 176.38 9.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.562 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -146.58 108.5 4.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.736 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.538 HG23 HG21 ' A' ' 120' ' ' VAL . 42.1 t -94.92 112.13 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.285 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.1 m -97.05 120.34 37.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.63 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -101.39 132.19 47.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.933 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.495 ' CD2' ' SG ' ' A' ' 161' ' ' CYS . 12.5 m-85 -124.04 102.86 7.97 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.222 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.43 145.75 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.076 -178.055 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.668 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 0.9 OUTLIER -97.0 -23.22 16.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.764 178.801 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.78 ' CD2' HG22 ' A' ' 31' ' ' THR . 21.6 m95 -114.77 135.78 53.8 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.528 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.403 ' OG ' HG23 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -57.66 162.73 4.54 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.599 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -70.7 171.12 16.12 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.602 2.201 . . . . 0.0 112.109 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 31.1 p -111.14 -137.2 0.37 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.367 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.539 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -49.49 102.49 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.495 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.525 ' O ' ' N ' ' A' ' 108' ' ' GLY . 79.3 p -41.08 -25.11 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.63 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.454 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -85.46 -28.29 25.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.919 0.39 . . . . 0.0 111.347 -179.503 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -81.33 -62.0 2.02 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' CYS . . . . . 0.73 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.7 OUTLIER -77.56 -69.24 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.621 0.248 . . . . 0.0 111.369 -179.568 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.722 ' HB1' HD13 ' A' ' 143' ' ' LEU . . . -58.43 -40.2 81.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.98 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -58.78 -57.05 21.93 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.521 ' OE1' HD11 ' A' ' 73' ' ' LEU . 41.1 mt-10 -53.96 -32.8 55.04 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.013 0.435 . . . . 0.0 110.099 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 106' ' ' CYS . 58.2 t -73.78 -40.24 53.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.348 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 55.9 ttt180 -56.1 -58.98 5.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.324 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.56 -59.75 4.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.426 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -46.67 -28.66 1.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.618 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.7 tp -84.24 -43.3 15.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.728 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -49.62 -28.69 6.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.489 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -109.68 5.33 22.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.998 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.631 ' O ' HG12 ' A' ' 120' ' ' VAL . 2.6 t-20 -144.02 34.24 1.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.348 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.4 t -62.27 3.01 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.502 ' H ' ' C ' ' A' ' 117' ' ' ASN . 1.8 p-80 -76.16 9.98 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.376 . . . . 0.0 110.363 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 117' ' ' ASN . 7.9 p -136.98 149.66 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.387 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.45 123.05 34.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.467 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.506 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -104.66 112.41 25.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.614 -179.688 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.506 ' N ' HD13 ' A' ' 122' ' ' LEU . 1.8 mpt_? -116.32 120.05 37.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.857 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 19.6 mt -105.1 130.81 55.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.101 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -125.66 115.54 20.28 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.642 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -95.02 111.79 23.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.226 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.668 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -83.1 -44.71 14.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -133.2 138.41 46.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.933 0.397 . . . . 0.0 110.603 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.403 HG23 ' OG ' ' A' ' 99' ' ' SER . 0.2 OUTLIER -98.79 126.04 52.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.737 -179.73 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -174.42 120.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.308 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -175.35 172.74 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.503 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -103.31 9.9 37.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.378 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.475 ' C ' ' H ' ' A' ' 135' ' ' LEU . 1.7 m-20 -128.4 76.71 78.03 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.516 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.482 ' C ' ' H ' ' A' ' 136' ' ' TYR . 50.7 Cg_exo -49.75 -6.84 0.08 OUTLIER 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.72 2.28 . . . . 0.0 112.295 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.475 ' H ' ' C ' ' A' ' 133' ' ' ASP . 4.9 mt -55.73 -6.05 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.501 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.482 ' H ' ' C ' ' A' ' 134' ' ' PRO . 0.6 OUTLIER -42.4 -37.14 1.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.651 -179.89 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.479 ' N ' ' CG ' ' A' ' 136' ' ' TYR . 1.2 pttm -59.87 -60.36 3.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.464 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -51.88 -26.68 10.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.41 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.46 ' HB2' ' HB3' ' A' ' 103' ' ' SER . . . -75.39 -28.87 59.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.512 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 140' ' ' LEU . 0.9 OUTLIER -70.6 -41.44 72.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.514 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -82.28 -36.14 27.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.554 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 3.4 ttp -68.47 -49.66 58.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.689 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.722 HD13 ' HB1' ' A' ' 107' ' ' ALA . 23.1 tp -66.1 -50.93 62.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.677 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.482 ' C ' ' H ' ' A' ' 146' ' ' ALA . 4.8 tmm_? -49.08 -41.04 34.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.512 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -61.7 -0.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.594 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' A' ' 144' ' ' ARG . . . -102.16 -23.85 14.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.658 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 131.33 -47.61 1.01 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -44.31 147.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.839 0.352 . . . . 0.0 110.645 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -102.0 143.4 31.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.501 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.49 122.06 49.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.494 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 5.3 t -150.91 162.09 41.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.666 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.3 tp -78.38 140.28 17.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.583 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.583 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 10.9 ttt -56.37 130.7 45.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.637 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -100.08 153.77 18.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.629 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -52.29 -39.59 60.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.58 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.47 -44.38 93.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.543 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -65.95 -38.86 89.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.484 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.583 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 1.3 m-85 -51.43 -49.61 61.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.535 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.85 -52.98 62.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.606 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.624 ' ND1' ' N ' ' A' ' 161' ' ' CYS . 0.1 OUTLIER -48.1 -51.53 24.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.336 179.836 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.624 ' N ' ' ND1' ' A' ' 160' ' ' HIS . 0.5 OUTLIER -64.11 -49.22 73.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.945 -179.495 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 162' ' ' TRP . . . . . 0.459 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 21.9 t-105 -43.35 -68.97 0.15 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.327 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 163' ' ' ASP . . . . . 0.459 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.1 OUTLIER -60.16 -26.51 66.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.762 -179.008 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.518 ' O ' ' NH1' ' A' ' 52' ' ' ARG . 30.7 m -86.87 -18.45 30.87 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.818 -179.031 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.547 ' N ' ' O ' ' A' ' 161' ' ' CYS . 25.9 m-85 -121.52 19.19 11.26 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.623 -179.29 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.527 ' C ' ' H ' ' A' ' 168' ' ' HIS . 60.9 t -144.69 153.97 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.517 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 167' ' ' ASP . . . . . 0.629 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -75.98 27.75 0.11 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.958 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.714 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -41.01 -54.56 2.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.909 179.539 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 169' ' ' GLN . . . . . 0.621 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 31.6 mt-30 41.16 17.06 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.386 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 170' ' ' GLY . . . . . 0.714 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 141.35 3.69 1.16 Allowed Glycine 0 CA--C 1.53 0.975 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.909 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.615 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 23.7 m -117.24 85.27 18.89 Favored Pre-proline 0 CA--C 1.53 0.177 0 CA-C-N 116.865 0.333 . . . . 0.0 110.121 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -82.5 149.53 14.71 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 122.391 2.061 . . . . 0.0 112.369 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.513 ' O ' ' CD2' ' A' ' 173' ' ' PHE . 0.0 OUTLIER -105.76 123.03 47.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.313 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.544 ' H ' ' CD ' ' A' ' 174' ' ' GLN . 0.0 OUTLIER -91.83 153.97 43.69 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.443 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -70.32 134.26 26.38 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.263 1.976 . . . . 0.0 111.96 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 9.7 p90 -80.55 -172.19 3.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.605 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.82 95.4 10.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.53 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 160.48 -33.6 0.41 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.76 -46.12 50.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.801 0.334 . . . . 0.0 110.377 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.3 -48.51 71.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.502 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -65.72 -57.82 7.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.476 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -49.95 -37.57 32.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.476 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.11 -55.43 35.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.491 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -58.02 -30.26 65.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.578 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -68.37 -65.04 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.555 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 42.9 mt -62.51 -60.34 3.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.492 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 15.6 p -45.98 -37.43 6.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.482 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -66.73 -39.83 93.72 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 189' ' ' ARG . . . . . 0.46 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 31.8 mtt85 -69.19 -55.87 9.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.782 0.325 . . . . 0.0 110.491 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -43.34 -50.34 6.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.3 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -59.3 -40.6 86.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.352 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 192' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -51.79 -52.69 47.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.51 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 193' ' ' ILE . . . . . 0.522 ' N ' HD12 ' A' ' 193' ' ' ILE . 1.7 mp -59.66 -33.9 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.349 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.56 -35.75 65.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.455 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.71 91.9 4.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.522 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 196' ' ' ASN . . . . . 0.502 ' OD1' ' N ' ' A' ' 196' ' ' ASN . 0.6 OUTLIER -67.5 -162.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.571 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -57.11 117.81 4.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.558 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -175.22 36.64 0.1 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 16.3 p30 . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.579 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 mtt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -143.33 -42.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.615 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.73 141.03 48.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.556 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.52 162.65 54.79 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.438 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -70.27 -63.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.585 2.19 . . . . 0.0 112.035 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.15 -76.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.581 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.89 21.29 2.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.46 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.418 ' H ' ' HD2' ' A' ' 9' ' ' PRO . . . -91.77 -67.25 1.14 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.418 ' HD2' ' H ' ' A' ' 8' ' ' GLY . 40.5 Cg_endo -70.81 -11.72 29.87 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.799 2.333 . . . . 0.0 112.073 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 55.89 -157.34 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.652 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.488 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 4.2 p80 -151.55 54.7 0.85 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.607 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.701 ' N ' HD12 ' A' ' 12' ' ' LEU . 6.8 mp -94.9 174.37 7.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.968 0.413 . . . . 0.0 110.492 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.489 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -61.86 150.26 37.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.967 179.678 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -67.11 141.39 96.36 Favored Pre-proline 0 CA--C 1.536 0.418 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.408 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.442 ' O ' ' OG1' ' A' ' 19' ' ' THR . 86.1 Cg_exo -40.01 -48.71 3.78 Favored 'Trans proline' 0 N--CA 1.488 1.166 0 C-N-CA 122.119 1.879 . . . . 0.0 112.248 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.431 ' CD2' ' C ' ' A' ' 16' ' ' HIS . 11.7 t60 -65.83 -45.89 80.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.622 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.7 mm -48.7 -38.7 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.977 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 28.2 t80 -76.33 -57.2 4.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.786 0.327 . . . . 0.0 110.913 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -54.91 -24.56 24.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.831 -179.639 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.6 t -86.9 -35.91 18.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.676 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.614 ' ND2' ' CE1' ' A' ' 32' ' ' TYR . 14.4 t-20 -81.19 -1.36 44.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.735 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -133.31 3.17 3.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.339 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.52 122.52 17.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.441 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -39.39 121.12 1.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.727 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.52 77.66 1.27 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -70.11 -176.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.744 0.307 . . . . 0.0 110.584 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -121.92 -77.71 0.44 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.432 ' NE ' ' H ' ' A' ' 29' ' ' HIS . 0.9 OUTLIER -171.56 147.01 2.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.465 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.432 ' H ' ' NE ' ' A' ' 28' ' ' ARG . 21.8 m170 44.31 64.39 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -135.43 13.64 3.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.816 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.9 p -47.27 109.5 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.426 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.614 ' CE1' ' ND2' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -106.14 140.79 38.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.652 -179.857 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.714 HD13 ' C ' ' A' ' 33' ' ' LEU . 2.6 tm? -132.94 123.34 25.76 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.016 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.98 102.97 8.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.649 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.493 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 15.4 p90 -93.55 142.36 27.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.151 -179.167 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -126.49 160.59 30.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.111 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.681 HG21 ' CE1' ' A' ' 51' ' ' HIS . 44.8 t -131.44 123.78 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 110.639 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -135.68 120.54 18.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.619 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.8 ttp85 -95.53 137.53 34.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.39 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.9 mt -92.61 157.32 16.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.557 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -151.62 96.3 2.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.449 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.429 ' C ' ' H ' ' A' ' 44' ' ' THR . 40.7 t-20 59.43 53.87 4.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.472 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.62 -27.1 1.9 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.429 ' H ' ' C ' ' A' ' 42' ' ' ASN . 1.5 m -71.85 144.05 49.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.763 0.316 . . . . 0.0 110.508 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.7 p -104.26 137.0 42.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.569 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 37.1 t -131.1 105.42 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.499 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -82.54 136.78 34.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.663 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.2 mmt -89.31 145.81 25.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.523 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -96.82 -50.15 4.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.687 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.415 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -100.78 63.07 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.549 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.681 ' CE1' HG21 ' A' ' 37' ' ' VAL . 45.0 t-80 -161.0 13.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.663 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -109.58 170.63 7.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.596 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -173.09 173.69 45.71 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -152.15 146.72 25.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.85 0.357 . . . . 0.0 110.746 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mp -137.4 178.47 7.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.559 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.22 175.66 9.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.474 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -41.73 150.55 0.11 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.541 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -96.32 -60.89 1.52 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.565 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 54.58 101.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.555 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -93.09 -55.12 3.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.597 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -38.26 103.17 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.501 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -79.1 2.2 21.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.541 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.604 HD12 ' N ' ' A' ' 63' ' ' LEU . 8.6 mp -88.73 -52.12 5.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 5.1 t -114.27 -32.3 6.01 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.126 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.5 49.79 3.34 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.689 -0.965 . . . . 0.0 110.689 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -130.87 -80.13 0.53 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.718 0.294 . . . . 0.0 110.712 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -41.15 123.47 2.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.627 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.89 -140.69 5.62 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.538 ' CG ' HH11 ' A' ' 69' ' ' ARG . 1.1 mtt85 -138.54 138.51 38.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.897 0.379 . . . . 0.0 110.596 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.755 ' CD2' HD13 ' A' ' 73' ' ' LEU . 0.2 OUTLIER -59.1 164.56 2.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.658 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.59 -36.86 85.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.503 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -63.89 -50.9 66.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.508 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.755 HD13 ' CD2' ' A' ' 70' ' ' HIS . 6.6 mp -44.92 -47.54 11.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.383 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -58.26 -47.17 84.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.498 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.493 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 25.5 t80 -59.03 -47.77 84.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.407 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 tp -65.22 -19.59 66.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.191 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -79.07 -33.36 44.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.266 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 pp -103.81 8.11 37.08 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.779 0.323 . . . . 0.0 110.734 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.581 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -63.17 -41.66 70.89 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.61 179.792 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 28.3 Cg_exo -59.16 -22.07 62.64 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.263 1.975 . . . . 0.0 111.873 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.5 m -56.89 -8.84 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.526 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.664 HD22 ' NE2' ' A' ' 51' ' ' HIS . 49.2 mt -90.8 -35.25 14.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.59 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 71.26 39.58 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.643 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.9 mt -54.97 111.6 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.532 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.2 160.57 54.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.623 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.28 3.88 2.76 Favored 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.576 2.184 . . . . 0.0 112.112 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.0 -84.99 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.828 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.591 ' H ' ' CD ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -109.11 -175.09 2.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.584 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 90' ' ' TYR . 3.2 mm -85.07 156.14 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.536 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.46 ' N ' HG22 ' A' ' 89' ' ' ILE . 2.4 m-85 -131.33 167.36 19.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.489 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.418 ' NH1' ' NH1' ' A' ' 123' ' ' ARG . 19.7 ttp180 -153.85 104.44 2.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.777 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.8 t -91.09 131.27 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.451 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.6 m -107.73 120.47 42.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.301 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -100.38 131.47 46.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.967 0.413 . . . . 0.0 110.741 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.445 ' CD2' ' SG ' ' A' ' 161' ' ' CYS . 22.4 m-85 -120.29 102.87 8.78 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.221 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -111.1 142.44 23.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.003 0.43 . . . . 0.0 111.664 -178.315 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.647 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 2.5 p -96.72 -27.9 14.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.057 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 14.8 m95 -112.16 136.44 51.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.578 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.49 162.41 0.26 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.626 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -69.74 172.95 11.7 Favored 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.544 2.163 . . . . 0.0 112.073 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -117.43 -151.26 0.48 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.288 -179.84 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.536 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -37.75 98.55 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.326 0.584 . . . . 0.0 110.066 179.685 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.882 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 74.4 m -39.06 -24.02 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.822 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.522 ' N ' ' O ' ' A' ' 102' ' ' PHE . 1.6 t90 -84.41 -31.75 24.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.55 -179.224 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -72.22 -62.31 3.35 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -69.21 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.648 0.261 . . . . 0.0 111.198 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.882 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -50.55 -50.16 54.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.913 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.35 -58.84 11.96 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 105' ' ' GLY . 14.3 mm-40 -46.59 -45.35 18.86 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.279 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.0 t -65.18 -45.11 94.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.391 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -47.04 -58.54 3.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.209 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.54 -45.6 63.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.242 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -51.56 -49.19 62.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.491 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.54 ' O ' HG23 ' A' ' 118' ' ' THR . 7.0 mp -69.21 -58.42 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.505 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -46.8 -15.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.416 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 114' ' ' LEU . 4.3 tt0 -109.97 -18.91 13.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.657 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.578 ' O ' HG12 ' A' ' 120' ' ' VAL . 15.3 t-20 -152.54 57.74 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.387 . . . . 0.0 110.694 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 114' ' ' LEU . 66.5 p -62.14 5.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.523 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.3 OUTLIER -75.85 1.36 15.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 0.0 110.337 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 117' ' ' ASN . 6.6 p -128.47 130.52 69.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.482 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 28.1 mtt-85 -91.47 144.55 25.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.294 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.76 128.55 49.73 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.002 -179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.418 ' NH1' ' NH1' ' A' ' 91' ' ' ARG . 2.4 mtp180 -112.27 124.08 51.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.825 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 23.6 mm -104.92 127.12 59.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.748 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.509 ' CE1' ' OE2' ' A' ' 157' ' ' GLU . 63.4 m-85 -126.09 111.18 14.37 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.04 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -94.54 114.77 26.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.988 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.647 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -85.75 -44.66 12.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.071 -179.509 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.651 ' HE ' HD21 ' A' ' 186' ' ' LEU . 0.0 OUTLIER -133.82 140.31 46.81 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.878 0.37 . . . . 0.0 110.784 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.422 ' H ' ' CZ ' ' A' ' 128' ' ' ARG . 0.2 OUTLIER -99.85 129.24 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.581 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.417 ' O ' ' OD1' ' A' ' 131' ' ' ASP . 0.2 OUTLIER -178.82 122.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.367 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 130' ' ' TYR . 0.1 OUTLIER 179.68 151.71 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.681 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -86.59 10.09 16.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.453 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.488 ' C ' ' H ' ' A' ' 135' ' ' LEU . 11.9 m-20 -122.33 80.61 45.39 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.571 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.478 ' C ' ' H ' ' A' ' 136' ' ' TYR . 50.2 Cg_exo -50.04 -5.83 0.07 OUTLIER 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 122.565 2.177 . . . . 0.0 112.309 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.488 ' H ' ' C ' ' A' ' 133' ' ' ASP . 5.5 mt -52.66 -8.98 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.456 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.478 ' H ' ' C ' ' A' ' 134' ' ' PRO . 0.9 OUTLIER -42.87 -26.55 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.662 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -68.08 -59.21 3.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.585 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.99 -30.38 14.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.554 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.61 ' HB2' ' OG ' ' A' ' 103' ' ' SER . . . -69.13 -42.58 75.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.591 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.32 -43.71 83.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.54 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -77.24 -59.23 2.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.552 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -45.08 -39.89 6.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.437 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 44.2 tp -68.96 -45.96 69.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -54.45 -28.49 44.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.519 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -82.22 -13.6 56.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.516 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -87.73 -23.1 24.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.585 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 91.71 68.47 1.15 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -143.49 172.79 12.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.879 0.371 . . . . 0.0 110.573 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -100.53 130.67 46.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.584 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.05 107.68 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.501 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.09 162.0 41.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.719 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.643 HD11 HD22 ' A' ' 190' ' ' LEU . 10.3 mm -85.02 136.45 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.568 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.586 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 4.9 ttt -45.04 121.26 2.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.51 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 82.4 p -99.04 157.38 16.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.636 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -47.97 -39.41 19.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.731 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.39 -60.94 2.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.588 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.509 ' OE2' ' CE1' ' A' ' 125' ' ' PHE . 73.8 mt-10 -53.79 -32.32 52.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.489 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.586 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 0.4 OUTLIER -59.41 -46.9 87.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.421 179.864 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -59.88 -56.22 24.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.661 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.517 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -56.23 -54.21 48.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.54 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.517 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 11.5 t -57.12 -38.53 73.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.705 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' TRP . . . . . 0.578 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 4.0 t-105 -61.88 -64.7 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 163' ' ' ASP . . . . . 0.578 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -62.46 -17.5 59.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.337 -179.45 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 87.7 m -86.56 -36.49 18.88 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.23 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.489 ' O ' ' SD ' ' A' ' 13' ' ' MET . 28.6 m-85 -100.72 18.7 18.69 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.354 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.493 ' C ' ' H ' ' A' ' 168' ' ' HIS . 60.2 t -146.15 134.87 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.643 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 169' ' ' GLN . 30.2 t70 -75.16 39.31 0.14 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.605 178.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.596 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -46.87 -12.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.586 -179.776 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 169' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' A' ' 167' ' ' ASP . 9.2 mm-40 53.83 6.19 0.08 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.987 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 170' ' ' GLY . . . . . 0.596 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 122.47 36.1 0.71 Allowed Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.585 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 1.2 m -124.78 80.76 62.14 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-O 120.701 0.286 . . . . 0.0 110.292 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -51.91 155.05 8.92 Favored 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.595 2.197 . . . . 0.0 112.219 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.521 ' CE1' ' O ' ' A' ' 174' ' ' GLN . 0.0 OUTLIER -98.59 114.5 26.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.412 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.521 ' O ' ' CE1' ' A' ' 173' ' ' PHE . 0.0 OUTLIER -79.53 156.68 75.56 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.553 -179.732 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.66 156.21 57.77 Favored 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 122.393 2.062 . . . . 0.0 112.154 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 3.0 p90 -103.53 -168.29 1.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.383 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -89.22 86.63 6.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.436 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 144.67 -25.39 1.97 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 5.2 tt -41.07 -38.77 1.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.727 0.299 . . . . 0.0 110.604 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -47.89 59.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.611 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -60.16 -50.13 74.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.642 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -63.32 -46.86 84.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.56 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 71.0 m -58.55 -50.34 74.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.596 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.26 -32.04 72.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.705 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -73.88 -65.16 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.63 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 186' ' ' LEU . . . . . 0.651 HD21 ' HE ' ' A' ' 128' ' ' ARG . 9.3 mp -50.52 -54.68 20.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.505 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 13.3 m -54.41 -42.4 70.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.603 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -66.02 -32.77 83.52 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -58.89 -61.68 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.724 0.297 . . . . 0.0 110.596 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.643 HD22 HD11 ' A' ' 152' ' ' ILE . 2.1 tp -51.24 -44.76 61.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.424 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 191' ' ' ARG . . . . . 0.517 HH21 HD21 ' A' ' 196' ' ' ASN . 25.3 ttt180 -52.42 -35.62 52.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.41 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -66.08 -55.14 18.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.576 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 193' ' ' ILE . . . . . 0.502 ' N ' HD12 ' A' ' 193' ' ' ILE . 1.7 mp -48.56 -53.47 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.531 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 195' ' ' GLN . 6.0 mt -59.19 -6.23 0.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.528 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 195' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 194' ' ' LEU . 1.5 mm-40 48.81 99.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.594 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 196' ' ' ASN . . . . . 0.517 HD21 HH21 ' A' ' 191' ' ' ARG . 0.1 OUTLIER -126.05 174.25 8.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.561 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 47.96 83.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.6 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 151.97 -95.21 0.15 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.543 -179.948 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.5 mmm . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -165.67 -40.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.527 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -162.59 -66.66 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.555 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.91 163.22 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.557 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -38.26 120.38 0.43 Allowed 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.632 2.221 . . . . 0.0 112.223 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -165.12 140.55 5.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.597 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 t 171.91 97.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.568 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -154.21 61.41 0.38 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -74.53 139.0 25.05 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.782 2.321 . . . . 0.0 112.146 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 11' ' ' HIS . 8.6 ttm180 -140.38 99.28 3.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.434 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 10' ' ' ARG . 4.0 t60 41.56 94.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.556 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.838 HD22 ' N ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -100.74 174.04 6.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.248 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.6 ptp -76.26 166.86 22.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.241 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.13 142.12 92.54 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.676 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -41.66 -49.09 5.47 Favored 'Trans proline' 0 N--CA 1.491 1.336 0 C-N-CA 122.082 1.855 . . . . 0.0 112.346 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -64.76 -48.06 75.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.057 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.4 mm -48.73 -30.35 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.652 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -80.97 -60.86 2.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.615 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.6 -24.99 1.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.567 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.8 p -79.26 -54.65 5.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.504 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.599 HD22 ' NZ ' ' A' ' 30' ' ' LYS . 20.2 m-80 -60.84 -7.63 2.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.548 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -133.19 35.16 3.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 23' ' ' ASN . 1.7 t-20 -95.58 104.93 16.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.578 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.668 ' N ' HH21 ' A' ' 128' ' ' ARG . 0.0 OUTLIER -41.21 155.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.556 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.22 18.29 67.27 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.819 -0.913 . . . . 0.0 110.819 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.402 HD13 ' HE1' ' A' ' 98' ' ' TRP . 19.5 tt -60.79 158.39 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.619 0.247 . . . . 0.0 110.46 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.88 -10.36 0.1 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -108.1 143.69 36.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.779 0.323 . . . . 0.0 110.438 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.596 ' N ' ' ND1' ' A' ' 29' ' ' HIS . 0.1 OUTLIER -61.91 76.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.819 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.599 ' NZ ' HD22 ' A' ' 21' ' ' ASN . 0.0 OUTLIER -117.03 25.11 10.73 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.961 179.727 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.477 HG22 ' CD2' ' A' ' 98' ' ' TRP . 0.1 OUTLIER -46.92 142.04 3.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.395 -179.465 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.44 ' CD1' ' OD1' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -119.74 143.69 47.66 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.093 179.71 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.654 HD13 ' C ' ' A' ' 33' ' ' LEU . 2.2 tm? -133.37 114.0 13.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.107 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.89 136.83 47.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.673 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.404 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 40.4 p90 -128.91 136.65 50.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.024 0.44 . . . . 0.0 111.395 -178.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -139.96 129.06 23.66 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.15 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.8 t -105.36 137.85 33.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.875 0.369 . . . . 0.0 110.73 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.484 ' OE2' ' NE ' ' A' ' 91' ' ' ARG . 7.6 pt-20 -139.67 134.52 32.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.405 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.3 ttp85 -79.47 138.18 37.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.547 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.6 mt -103.49 101.49 11.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.667 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -100.5 99.33 9.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.455 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 54.83 32.28 17.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.615 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.51 -25.96 26.23 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.8 m -72.78 110.89 7.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.54 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 63.2 p -84.25 128.4 34.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.512 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.7 t -122.92 99.36 6.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.454 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -63.82 132.46 50.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.62 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 45.3 mtt -74.75 155.88 37.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.533 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.92 -50.2 7.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.597 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -103.29 73.09 1.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.517 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.52 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 38.0 t-80 -163.93 9.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.666 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.543 ' C ' ' HE ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -100.92 133.64 45.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.397 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -154.53 -179.34 29.71 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -166.04 139.21 4.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.922 0.392 . . . . 0.0 111.154 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mp -138.33 178.47 7.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.382 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -124.08 167.87 13.64 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.347 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -56.45 172.31 0.24 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.849 0.357 . . . . 0.0 110.656 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -95.39 87.55 4.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.496 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.29 -71.51 0.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.633 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -89.43 89.15 7.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.565 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.455 ' C ' ' H ' ' A' ' 63' ' ' LEU . 12.7 p-10 -143.04 72.24 1.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.459 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 mt -70.47 10.41 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.593 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.455 ' H ' ' C ' ' A' ' 61' ' ' ASN . 10.3 mt -58.54 -49.65 76.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.567 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 10.4 m -102.98 9.89 38.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.589 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.56 30.02 5.73 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.514 ' O ' ' CG ' ' A' ' 66' ' ' PHE . 14.6 t80 54.79 80.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.739 0.304 . . . . 0.0 110.612 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.528 ' O ' ' N ' ' A' ' 69' ' ' ARG . 14.7 m-85 -117.38 118.02 31.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.408 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.76 84.95 0.01 OUTLIER Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.528 ' N ' ' O ' ' A' ' 67' ' ' TYR . 27.8 mtp85 -102.93 130.11 49.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.794 0.33 . . . . 0.0 110.585 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.426 ' CD2' ' OE2' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -56.34 159.4 3.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.717 -179.825 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.46 -27.44 56.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.536 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.494 ' OE1' ' SG ' ' A' ' 106' ' ' CYS . 21.5 mt-10 -54.34 -38.32 65.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.569 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.6 mp -60.72 -47.1 87.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.633 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -60.49 -37.57 81.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.595 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 2.8 t80 -62.07 -49.22 76.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.569 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.1 tp -65.94 -20.15 66.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.627 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -76.73 -29.48 56.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.659 ' C ' HD12 ' A' ' 78' ' ' LEU . 4.0 pp -104.44 7.13 35.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.834 0.35 . . . . 0.0 110.833 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.588 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -64.25 -41.11 58.38 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.985 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 22.7 Cg_exo -61.0 -17.24 50.55 Favored 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 122.27 1.98 . . . . 0.0 112.065 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.7 m -71.04 -9.02 57.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.2 mt -98.3 -10.77 23.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.705 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 42.76 52.37 5.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.546 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 mt -40.43 156.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.71 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.492 ' C ' ' H ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -116.22 85.41 15.55 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.413 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -50.12 -5.66 0.07 OUTLIER 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.357 2.038 . . . . 0.0 112.45 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -40.95 -31.99 0.21 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.91 0.386 . . . . 0.0 110.518 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -138.29 -173.88 3.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.279 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.474 ' C ' ' CD1' ' A' ' 90' ' ' TYR . 0.5 OUTLIER -90.75 156.61 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.028 0.442 . . . . 0.0 110.641 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 89' ' ' ILE . 65.1 m-85 -144.15 179.05 7.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.845 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.535 ' CZ ' ' HE ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -148.63 116.04 6.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.443 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.3 t -93.85 122.52 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.322 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.5 m -104.11 118.73 37.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.605 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -102.97 131.13 50.15 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.648 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.416 ' CD2' ' SG ' ' A' ' 161' ' ' CYS . 36.3 m-85 -123.22 103.21 8.39 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -111.93 145.6 17.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.475 -178.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.633 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 2.1 p -91.88 -24.51 19.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.001 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.477 ' CD2' HG22 ' A' ' 31' ' ' THR . 13.9 m95 -110.54 171.12 7.65 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.102 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -98.08 161.08 26.7 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.799 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' A' ' 99' ' ' SER . 53.1 Cg_exo -42.55 173.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 122.648 2.232 . . . . 0.0 112.515 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.9 p -125.08 -47.81 1.76 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.143 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.3 OUTLIER -143.31 117.31 9.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.578 179.597 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.866 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 3.8 m -42.85 -36.64 1.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.05 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -84.65 -17.69 37.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.555 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.96 -63.82 1.51 Allowed Glycine 0 CA--C 1.527 0.804 0 C-N-CA 120.514 -0.85 . . . . 0.0 111.697 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' CYS . . . . . 0.494 ' SG ' ' OE1' ' A' ' 72' ' ' GLU . 1.3 m -79.01 -48.07 15.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.652 0.263 . . . . 0.0 111.572 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.866 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -74.09 -27.74 61.04 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.853 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -69.27 -61.0 4.77 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -36.78 68.79 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.117 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 4.3 t -68.88 -61.41 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.363 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 114' ' ' LEU . 67.3 ttt180 -42.3 -60.74 1.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.128 0.49 . . . . 0.0 110.098 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -42.81 -59.54 1.92 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.428 ' CE1' ' OD1' ' A' ' 117' ' ' ASN . 40.8 t80 -51.55 -23.43 4.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.603 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.455 HD11 ' HB2' ' A' ' 122' ' ' LEU . 0.9 OUTLIER -84.48 -55.71 4.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.078 -179.613 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 115' ' ' GLN . 3.3 mm100 -46.52 -28.91 1.55 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.945 0.402 . . . . 0.0 110.081 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -90.92 -42.04 10.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.237 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 119' ' ' HIS . 17.8 m120 -103.77 37.5 2.03 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.747 0.308 . . . . 0.0 111.185 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.429 ' C ' ' H ' ' A' ' 120' ' ' VAL . 59.9 p -45.66 -15.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.835 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.52 ' ND1' ' O ' ' A' ' 119' ' ' HIS . 5.6 p80 -76.19 16.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.955 0.407 . . . . 0.0 110.544 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.447 ' CG2' ' CE1' ' A' ' 119' ' ' HIS . 60.7 t -137.27 144.88 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.479 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.28 148.66 22.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.177 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.523 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.3 OUTLIER -130.91 113.39 13.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.048 0.451 . . . . 0.0 110.796 -179.264 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.535 ' HE ' ' CZ ' ' A' ' 91' ' ' ARG . 32.2 mtt-85 -115.23 125.01 52.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.125 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.1 mm -106.0 129.61 58.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -128.18 115.41 18.33 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.659 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -102.85 111.39 23.7 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.429 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.633 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -77.73 -43.08 32.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.816 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.668 HH21 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -131.63 160.7 34.62 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.515 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.526 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 0.9 OUTLIER -121.76 141.12 43.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.62 -179.751 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.526 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 0.8 OUTLIER 177.77 120.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.431 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.48 ' C ' ' H ' ' A' ' 133' ' ' ASP . 2.4 m-20 -177.81 123.58 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.432 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.71 9.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.328 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 135' ' ' LEU . 1.1 m-20 -118.51 82.37 19.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.29 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -46.83 -7.99 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 122.461 2.107 . . . . 0.0 112.633 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 133' ' ' ASP . 0.7 OUTLIER -51.64 -21.06 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.699 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.671 ' OH ' HD11 ' A' ' 193' ' ' ILE . 0.5 OUTLIER -42.52 -31.92 0.49 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.643 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -53.51 -62.05 1.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.439 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -54.84 -33.33 61.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.433 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 136' ' ' TYR . . . -56.38 -46.84 79.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.437 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -60.56 -50.74 72.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.281 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -58.76 -39.4 80.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.408 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -56.97 -39.77 75.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.249 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.721 HD12 ' HB3' ' A' ' 148' ' ' ALA . 0.8 OUTLIER -60.21 -55.54 32.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.211 179.734 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -44.93 -41.71 7.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.566 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.62 -34.36 72.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.666 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.33 -23.37 43.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 79.98 71.04 1.29 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.721 ' HB3' HD12 ' A' ' 143' ' ' LEU . . . -136.28 -172.54 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.679 0.276 . . . . 0.0 110.501 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -102.66 124.43 48.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.607 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.19 107.72 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.495 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 71.0 p -152.0 162.35 41.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.693 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 187' ' ' SER . 19.5 mt -85.92 139.25 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.893 0.378 . . . . 0.0 110.352 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 5.8 tpp -41.42 126.96 2.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.626 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.99 159.31 15.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.506 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -48.09 -41.39 26.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.688 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -62.5 -48.07 81.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.582 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -61.99 -42.5 99.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.596 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -49.81 -56.27 11.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.675 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.15 -58.75 6.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.017 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.614 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -48.74 -57.82 5.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.855 -179.774 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.614 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 1.5 m -54.76 -52.76 61.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 162' ' ' TRP . . . . . 0.595 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 6.4 t-105 -43.83 -68.76 0.17 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 163' ' ' ASP . . . . . 0.595 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -57.97 -41.24 82.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.437 -179.316 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.401 ' O ' HG22 ' A' ' 164' ' ' THR . 77.9 m -68.23 -18.1 64.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.493 -179.21 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 161' ' ' CYS . 50.0 m-85 -121.56 19.31 11.22 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.557 ' C ' ' H ' ' A' ' 168' ' ' HIS . 80.6 t -144.76 155.07 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.182 0.515 . . . . 0.0 111.645 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 167' ' ' ASP . . . . . 0.497 ' N ' HG12 ' A' ' 166' ' ' VAL . 2.2 p-10 -74.87 30.14 0.09 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.642 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.738 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.2 OUTLIER -35.26 -53.6 0.63 Allowed 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.252 -179.644 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 169' ' ' GLN . . . . . 0.626 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 81.0 mm-40 40.95 15.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.518 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 170' ' ' GLY . . . . . 0.738 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 144.39 -3.17 1.38 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.593 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 3.5 m -108.07 96.08 16.99 Favored Pre-proline 0 CA--C 1.535 0.393 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -73.61 160.64 43.72 Favored 'Trans proline' 0 N--CA 1.49 1.276 0 C-N-CA 121.522 1.481 . . . . 0.0 112.691 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -51.48 143.96 11.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.805 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -108.44 99.88 35.1 Favored Pre-proline 0 CA--C 1.535 0.384 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.634 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -78.71 133.86 11.77 Favored 'Trans proline' 0 N--CA 1.489 1.241 0 C-N-CA 121.859 1.706 . . . . 0.0 111.95 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' TRP . . . . . 0.695 ' HE1' ' CD2' ' A' ' 182' ' ' HIS . 0.9 OUTLIER -73.82 167.16 21.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 177' ' ' ASP . . . . . 0.502 ' N ' ' OD1' ' A' ' 177' ' ' ASP . 9.6 p30 -84.02 86.13 7.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.739 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 149.97 43.72 0.03 OUTLIER Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.491 -1.044 . . . . 0.0 110.491 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 179' ' ' LEU . . . . . 0.413 HD12 ' CD1' ' A' ' 176' ' ' TRP . 0.8 OUTLIER -73.92 -49.92 22.5 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.872 -179.678 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -59.48 -21.8 60.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.426 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -75.91 -62.0 1.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 182' ' ' HIS . . . . . 0.695 ' CD2' ' HE1' ' A' ' 176' ' ' TRP . 2.1 p80 -70.61 -28.13 64.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.996 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 49.9 m -69.51 -45.43 68.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.499 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -63.56 -38.48 91.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.542 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -56.58 -60.26 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.6 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 35.9 mt -67.76 -55.89 11.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.613 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 187' ' ' SER . . . . . 0.403 ' HA ' HD12 ' A' ' 152' ' ' ILE . 23.0 t -50.54 -26.31 5.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.6 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -72.73 -53.69 8.07 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 189' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 7.3 tpp180 -48.24 -56.09 8.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.807 0.337 . . . . 0.0 110.621 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.5 tp -53.55 -54.1 42.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.611 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -45.27 -36.95 4.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.605 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 192' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -64.85 -50.45 66.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.566 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 193' ' ' ILE . . . . . 0.671 HD11 ' OH ' ' A' ' 136' ' ' TYR . 10.5 mt -49.43 -49.0 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.455 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 47.8 mt -54.35 -35.92 63.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.61 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -76.76 77.11 3.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.611 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 196' ' ' ASN . . . . . 0.533 ' H ' ' ND2' ' A' ' 196' ' ' ASN . 0.6 OUTLIER -68.93 -84.48 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.595 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 197' ' ' GLN . . . . . 0.406 ' H ' ' CG ' ' A' ' 196' ' ' ASN . 3.2 pt20 -161.83 137.17 7.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.541 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -102.51 -81.14 1.53 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.564 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 tpp . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.55 145.63 55.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.504 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.82 24.21 0.51 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.69 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.6 m 51.4 67.25 4.38 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.621 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -47.62 -55.43 3.97 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.816 2.344 . . . . 0.0 112.134 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.26 77.54 3.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.517 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.1 p -74.81 -39.45 61.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.584 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.25 -172.52 41.05 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -47.95 -45.28 25.34 Favored 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 122.844 2.363 . . . . 0.0 112.105 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.4 mtp180 53.7 174.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.608 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -174.14 112.94 0.18 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.592 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.844 HD22 ' N ' ' A' ' 12' ' ' LEU . 1.0 OUTLIER -107.68 173.58 6.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.134 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.9 mtm -74.58 150.75 39.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.87 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 3.9 m-20 -63.63 141.99 97.95 Favored Pre-proline 0 CA--C 1.537 0.461 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.446 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.421 ' O ' ' OG1' ' A' ' 19' ' ' THR . 73.5 Cg_exo -40.73 -52.55 3.16 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 122.147 1.898 . . . . 0.0 112.393 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -64.02 -48.19 77.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.031 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mm -48.78 -39.9 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 0.0 110.447 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -76.07 -60.87 2.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.56 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.2 OUTLIER -48.74 -24.52 1.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.56 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.7 p -77.58 -49.1 15.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.53 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.427 ' ND2' ' CE1' ' A' ' 32' ' ' TYR . 2.3 m-20 -62.44 -30.44 71.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.558 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.435 ' C ' ' N ' ' A' ' 24' ' ' ASN . 99.1 m-85 -112.25 20.48 16.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.502 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -51.55 -12.68 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.497 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.435 ' N ' ' C ' ' A' ' 22' ' ' PHE . 9.7 t-20 63.89 98.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.475 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.25 77.04 1.14 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.446 ' C ' HD12 ' A' ' 26' ' ' ILE . 1.2 pp -140.82 -178.19 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 0.0 110.575 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.03 41.88 0.59 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.469 ' O ' ' CZ2' ' A' ' 98' ' ' TRP . 1.0 OUTLIER -105.21 149.01 26.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.558 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -92.15 85.36 5.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.391 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -171.1 49.26 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.455 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.723 HG22 ' CD2' ' A' ' 98' ' ' TRP . 3.5 p -46.35 157.66 0.13 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.288 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.427 ' CE1' ' ND2' ' A' ' 21' ' ' ASN . 3.7 m-85 -121.31 143.69 49.04 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.192 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 34' ' ' CYS . 8.4 tp -137.11 111.88 8.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.533 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.42 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -106.2 127.27 53.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.948 179.285 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 14.0 p90 -121.22 138.21 54.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.943 0.402 . . . . 0.0 111.035 -179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.01 134.06 29.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.105 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -95.67 145.12 8.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.925 0.393 . . . . 0.0 110.835 -179.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -139.95 128.9 23.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.414 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -81.32 135.91 35.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.521 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.6 mt -100.86 146.19 27.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.494 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -155.6 100.5 2.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.593 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.76 31.65 21.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.537 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.05 -24.9 29.83 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.3 m -72.61 108.01 5.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 0.0 110.61 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 60.5 p -98.81 108.79 21.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.577 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 46' ' ' VAL . 33.5 m -101.33 120.14 50.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.653 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -77.73 124.73 28.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.536 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 46.0 mtt -61.68 153.56 27.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.622 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.74 -50.23 6.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.492 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -104.94 74.94 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.318 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.493 ' N ' ' HE ' ' A' ' 52' ' ' ARG . 37.7 t-80 -164.59 22.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.682 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.697 ' H ' ' NE ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -101.04 152.36 20.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.512 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.44 151.4 21.29 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -149.42 142.03 24.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.804 0.335 . . . . 0.0 110.635 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.889 ' H ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -144.72 167.17 23.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.498 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.425 ' O ' ' O ' ' A' ' 57' ' ' ASN . 0.6 OUTLIER -104.08 159.02 16.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.511 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' A' ' 58' ' ' GLN . 45.4 p-10 -59.04 -149.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.612 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 57' ' ' ASN . 2.8 pt20 -42.23 165.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.566 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.95 -60.55 2.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.644 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.511 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 85.5 mttt -145.46 -77.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.594 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER 65.66 5.55 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.26 0.552 . . . . 0.0 110.685 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 pp -86.76 -25.03 24.88 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.812 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 mt -88.86 -51.7 5.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.636 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.77 -32.31 6.17 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.489 -179.06 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.1 44.19 10.04 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -105.31 -42.69 5.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.823 0.344 . . . . 0.0 110.551 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.57 123.94 27.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.563 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -151.04 92.6 0.14 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.83 140.66 40.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.726 0.298 . . . . 0.0 110.52 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.655 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -86.5 133.47 33.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.125 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.49 -47.38 3.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.999 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.522 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 19.0 mp0 -48.33 -43.7 33.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.944 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.475 HD13 ' ND1' ' A' ' 70' ' ' HIS . 10.8 mp -68.82 -55.08 12.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.606 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -44.38 -27.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.565 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.452 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 16.0 t80 -84.7 -44.15 13.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.578 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.0 tp -66.64 -19.99 65.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.635 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.72 -28.59 60.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.18 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.652 ' C ' HD12 ' A' ' 78' ' ' LEU . 3.9 pp -106.28 8.06 31.68 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.928 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.579 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -64.82 -41.03 52.99 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.952 179.849 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 36.0 Cg_exo -58.16 -17.35 31.72 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 C-N-CA 122.233 1.956 . . . . 0.0 111.963 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.3 t -55.4 -32.64 62.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.686 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.721 ' N ' HD22 ' A' ' 82' ' ' LEU . 2.8 mm? -80.69 -41.98 22.78 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.434 ' CB ' ' O ' ' A' ' 82' ' ' LEU . 13.3 tt0 76.6 41.13 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.677 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.4 mt -46.88 154.62 0.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.513 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.02 160.52 66.92 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.409 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -71.4 -15.22 31.23 Favored 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.511 2.141 . . . . 0.0 112.21 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.87 -78.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.493 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -98.59 155.1 17.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.365 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.0 mm -84.91 150.6 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.083 0.468 . . . . 0.0 110.444 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -137.23 179.03 6.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.66 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -148.91 107.06 3.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.476 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 70.7 t -88.99 107.96 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.371 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.3 m -93.12 124.33 37.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.524 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 25.9 m0 -100.6 131.26 46.6 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.022 0.439 . . . . 0.0 110.508 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -118.63 102.84 9.17 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.415 HG21 HD13 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -115.16 145.96 20.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.166 0.508 . . . . 0.0 111.711 -178.357 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.63 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 0.2 OUTLIER -95.72 -20.05 19.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.743 179.081 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.723 ' CD2' HG22 ' A' ' 31' ' ' THR . 22.8 m95 -117.05 163.98 15.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.219 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -79.64 158.14 73.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.479 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' A' ' 99' ' ' SER . 53.3 Cg_exo -42.38 171.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.369 0 C-N-CA 122.413 2.075 . . . . 0.0 112.235 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.59 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 0.1 OUTLIER -107.17 -45.05 4.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.327 179.686 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.59 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.3 OUTLIER -157.21 114.01 3.01 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 179.228 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 108' ' ' GLY . 96.4 p -39.09 -39.86 0.62 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.275 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -85.16 -21.85 29.04 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.37 -179.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.94 -63.89 1.51 Allowed Glycine 0 CA--C 1.525 0.7 0 C-N-CA 120.291 -0.957 . . . . 0.0 110.842 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 60.3 m -79.37 -69.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.748 0.309 . . . . 0.0 111.114 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.801 ' HB1' HD13 ' A' ' 143' ' ' LEU . . . -57.7 -25.78 60.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.618 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -67.38 -61.37 5.14 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.606 -0.997 . . . . 0.0 110.606 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -49.54 -29.6 7.15 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.875 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 3.7 t -71.82 -44.48 67.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.054 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 44.3 ttt85 -54.25 -58.75 6.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.209 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.65 -45.86 58.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.368 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 117' ' ' ASN . 5.6 t80 -53.13 -51.3 62.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.414 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 116' ' ' GLU . 8.9 mt -61.92 -58.57 7.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.448 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -49.68 -16.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.396 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 114' ' ' LEU . 36.8 tt0 -110.06 -22.5 11.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 113' ' ' PHE . 9.4 m-20 -135.19 46.88 2.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.782 0.325 . . . . 0.0 111.021 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.423 ' C ' ' H ' ' A' ' 120' ' ' VAL . 1.0 OUTLIER -49.72 -11.8 0.06 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.719 -179.858 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.51 ' CE1' ' CG2' ' A' ' 120' ' ' VAL . 6.6 p80 -76.94 19.3 0.3 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.887 0.375 . . . . 0.0 110.534 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.51 ' CG2' ' CE1' ' A' ' 119' ' ' HIS . 41.5 t -143.04 136.98 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.506 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -91.64 129.32 37.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.556 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.508 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -111.14 112.7 24.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.505 -179.763 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.508 ' N ' HD13 ' A' ' 122' ' ' LEU . 37.5 mtp180 -110.92 128.48 55.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.361 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.1 mm -106.53 125.3 62.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -123.94 105.02 9.26 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.761 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -96.07 111.12 23.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.157 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.63 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -78.54 -40.38 35.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -135.37 152.64 51.63 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.55 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.401 ' H ' ' CD ' ' A' ' 128' ' ' ARG . 3.5 mt -124.3 97.51 4.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.677 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -150.99 37.1 0.62 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.52 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 132' ' ' TYR . 11.0 t70 -84.01 160.04 21.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.641 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' TYR . . . . . 0.529 ' N ' ' OD1' ' A' ' 131' ' ' ASP . 0.2 OUTLIER -81.81 10.14 6.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.67 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.5 ' C ' ' H ' ' A' ' 135' ' ' LEU . 5.9 m-20 -126.02 78.66 70.06 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.748 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.479 ' C ' ' H ' ' A' ' 136' ' ' TYR . 50.7 Cg_exo -51.42 -4.11 0.08 OUTLIER 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.713 2.276 . . . . 0.0 112.357 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.5 ' H ' ' C ' ' A' ' 133' ' ' ASP . 5.8 mt -57.17 -4.4 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.583 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.479 ' H ' ' C ' ' A' ' 134' ' ' PRO . 1.5 p90 -46.14 -23.84 0.37 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.682 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 41.9 tttp -76.8 -62.27 1.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.335 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -52.2 -19.58 2.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.286 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -77.67 -55.3 5.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.361 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.9 tt -54.67 -20.66 8.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.333 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -83.99 -61.04 1.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.158 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -64.42 -24.19 67.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.963 -179.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.801 HD13 ' HB1' ' A' ' 107' ' ' ALA . 16.1 tp -79.98 -53.22 6.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.464 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -47.72 -42.23 24.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.456 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -23.07 67.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.607 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 143' ' ' LEU . . . -77.36 -20.2 55.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.616 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 112.59 -34.36 5.18 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.522 ' HB3' ' HG ' ' A' ' 143' ' ' LEU . . . -41.83 151.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.757 0.313 . . . . 0.0 110.469 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -97.4 137.96 35.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.572 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.31 119.99 45.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.493 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.16 161.87 41.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.596 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -90.91 144.26 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.53 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.587 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 9.3 ttt -55.88 115.01 2.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.502 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 23.8 p -98.16 167.05 11.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.645 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -48.14 -58.15 4.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.565 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.84 -46.94 21.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.633 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.64 -38.12 89.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.778 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.587 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 1.1 m-85 -62.21 -46.62 88.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.775 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 14.3 ttpp -55.29 -52.24 64.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.599 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -67.32 -54.51 20.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.779 -179.667 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.599 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 8.4 t -56.3 -23.78 38.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.018 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 162' ' ' TRP . . . . . 0.632 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 3.2 t-105 -72.45 -68.07 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.89 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 163' ' ' ASP . . . . . 0.632 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.5 OUTLIER -64.57 -14.18 56.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.331 -179.23 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 98.3 m -82.91 -26.19 31.73 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.811 -0.355 . . . . 0.0 111.091 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -121.6 18.8 11.22 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.515 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.525 ' C ' ' H ' ' A' ' 168' ' ' HIS . 65.6 t -134.36 154.57 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 121.102 0.477 . . . . 0.0 111.266 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 167' ' ' ASP . . . . . 0.456 ' N ' HG12 ' A' ' 166' ' ' VAL . 1.6 t70 -76.08 33.24 0.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.557 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.746 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -37.95 -52.69 1.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.097 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 169' ' ' GLN . . . . . 0.623 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 15.0 mm-40 39.93 17.9 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.454 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 170' ' ' GLY . . . . . 0.746 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 141.68 -0.67 1.7 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.606 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 1.4 m -114.31 86.89 12.68 Favored Pre-proline 0 CA--C 1.531 0.214 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -78.08 162.33 28.96 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.06 1.84 . . . . 0.0 112.732 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -51.53 136.45 26.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.644 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -120.21 84.45 34.2 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.657 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -48.66 138.97 24.74 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 122.257 1.971 . . . . 0.0 112.194 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -100.74 178.34 4.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.633 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' ASP . . . . . 0.435 ' N ' ' OD1' ' A' ' 177' ' ' ASP . 1.2 m-20 -81.25 86.8 6.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.582 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 155.8 -19.41 0.5 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.5 -45.7 80.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.529 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -59.49 4.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.622 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -55.15 -61.78 2.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.592 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -42.48 -42.36 3.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.593 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 2.8 t -58.28 -49.36 77.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.621 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -53.71 -35.75 61.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -61.81 -59.54 5.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.547 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 7.7 mt -55.96 -57.94 9.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.532 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 1.1 m -52.56 -44.49 65.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.557 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -52.12 -37.47 46.25 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -66.25 -58.82 4.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.788 0.327 . . . . 0.0 110.569 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -46.95 -39.16 11.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.416 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -66.32 -48.82 69.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.522 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -47.66 -48.86 28.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.564 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 193' ' ' ILE . . . . . 0.536 ' N ' HD12 ' A' ' 193' ' ' ILE . 1.7 mp -69.56 -30.6 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.597 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 2.3 tp -73.11 0.22 12.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.535 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.46 -65.77 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.613 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -144.89 143.69 30.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.592 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 197' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 199' ' ' ASN . 14.4 tt0 -53.35 -64.44 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.574 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -62.38 77.78 0.03 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 199' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 197' ' ' GLN . 1.1 m120 . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.618 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 mmt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -70.22 112.35 6.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.534 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.75 -56.97 4.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.615 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.1 t 52.33 60.04 13.69 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.642 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.462 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 54.6 Cg_endo -73.27 -86.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.608 0 C-N-CA 122.652 2.234 . . . . 0.0 112.18 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 5' ' ' PRO . . . 67.05 175.39 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.606 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.98 160.14 39.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.514 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.84 68.17 0.22 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -50.13 127.79 20.67 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.862 2.374 . . . . 0.0 112.137 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -162.3 -77.42 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.486 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -167.98 86.71 0.22 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.421 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.822 HD22 ' N ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -98.36 174.31 6.55 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.397 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.527 ' HB2' HD11 ' A' ' 17' ' ' ILE . 1.1 ptp -76.97 167.49 21.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.079 179.128 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -74.7 123.92 89.34 Favored Pre-proline 0 CA--C 1.539 0.52 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.614 -179.617 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.424 ' O ' ' OG1' ' A' ' 19' ' ' THR . 72.2 Cg_exo -43.24 -17.1 0.09 OUTLIER 'Trans proline' 0 N--CA 1.491 1.348 0 C-N-CA 121.767 1.645 . . . . 0.0 111.546 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.568 ' CG ' ' N ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -75.41 -58.31 3.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.001 -179.707 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.568 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 26.3 pt -61.86 -19.69 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.888 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -74.0 -61.26 1.91 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.663 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -53.69 -23.92 12.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.162 179.618 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.459 ' C ' ' H ' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -85.21 -61.05 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.609 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 17' ' ' ILE . 58.0 m-80 -55.98 -6.28 0.23 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.711 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.459 ' H ' ' C ' ' A' ' 20' ' ' SER . 34.8 m-85 -127.99 12.6 6.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.734 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.39 109.56 12.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.584 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.414 ' OD1' ' NH2' ' A' ' 128' ' ' ARG . 0.5 OUTLIER -41.08 135.68 1.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.648 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.758 ' H ' HH12 ' A' ' 128' ' ' ARG . . . 88.37 98.61 0.96 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.4 pt -147.85 -171.67 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.736 0.303 . . . . 0.0 110.545 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.58 46.62 0.07 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.52 162.12 35.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.767 0.318 . . . . 0.0 110.576 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -99.87 100.97 11.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.77 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -172.51 36.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.217 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.702 HG22 ' CD2' ' A' ' 98' ' ' TRP . 1.3 p -47.49 162.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.946 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -125.28 149.03 48.43 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.379 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.6 tp -134.25 112.97 11.5 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.618 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.0 103.06 12.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.955 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.467 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 34.4 p90 -95.4 136.97 35.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 -179.377 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -121.83 157.54 30.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.961 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.763 HG11 ' CE1' ' A' ' 51' ' ' HIS . 6.2 t -135.19 128.87 49.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.353 . . . . 0.0 110.86 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.57 139.44 31.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.609 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.5 HH22 ' CD ' ' A' ' 88' ' ' GLN . 5.6 ptm85 -92.16 146.49 23.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.591 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 mp -103.89 132.35 50.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.634 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -145.17 101.98 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.589 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.527 ' O ' ' ND2' ' A' ' 42' ' ' ASN . 1.6 t30 56.72 38.69 29.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.52 -26.98 8.27 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.7 m -72.3 114.51 10.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.77 0.319 . . . . 0.0 110.601 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.0 m -102.02 106.91 17.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.586 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 63.4 t -95.29 132.4 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.411 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -89.76 136.85 32.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.644 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -91.15 146.21 24.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.481 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.68 -49.81 6.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.612 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -97.9 72.33 2.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.615 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.763 ' CE1' HG11 ' A' ' 37' ' ' VAL . 23.5 t-80 -170.42 -7.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.556 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.404 ' H ' ' H ' ' A' ' 51' ' ' HIS . 2.2 ptt180 -103.57 170.77 7.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.625 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.467 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . 177.17 178.94 47.26 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -142.16 147.69 37.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.827 0.346 . . . . 0.0 110.714 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mp -134.85 178.57 6.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.701 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.646 ' CE1' HH22 ' A' ' 74' ' ' ARG . 10.2 p80 -135.31 160.58 37.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.577 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -54.66 170.02 0.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.895 0.378 . . . . 0.0 110.647 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 70.89 -173.27 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.542 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.401 ' O ' ' CB ' ' A' ' 60' ' ' LYS . . . -177.94 10.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.576 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 4.4 tttp 74.04 -155.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.61 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.9 m120 53.63 23.36 3.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.425 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.595 ' H ' HD12 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -42.6 -45.55 4.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.561 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.428 ' C ' ' H ' ' A' ' 65' ' ' GLY . 3.2 mp -50.06 -40.15 44.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.719 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -2.41 1.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.606 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.428 ' H ' ' C ' ' A' ' 63' ' ' LEU . . . 83.5 11.9 79.23 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.25 -0.09 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 0.0 110.483 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.414 ' H ' ' C ' ' A' ' 65' ' ' GLY . 4.4 m-85 -41.78 126.8 3.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.528 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.8 68.69 1.3 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -131.49 133.69 45.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.794 0.331 . . . . 0.0 110.454 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.495 ' CE1' HD12 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -102.04 148.29 25.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.63 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.63 ' HB2' ' C ' ' A' ' 56' ' ' HIS . . . -56.27 -36.3 68.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.484 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.456 ' CB ' ' SG ' ' A' ' 106' ' ' CYS . 1.1 mm-40 -45.65 -42.28 11.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.661 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.495 HD12 ' CE1' ' A' ' 70' ' ' HIS . 13.9 mt -68.31 -57.63 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.486 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.646 HH22 ' CE1' ' A' ' 56' ' ' HIS . 5.0 ttm180 -47.42 -26.44 1.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.379 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -79.14 -37.39 38.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.435 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.94 -30.12 68.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.26 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -74.17 -18.12 60.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.386 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.53 HD23 ' HB2' ' A' ' 81' ' ' SER . 0.9 OUTLIER -79.31 -27.89 42.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.604 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.411 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 4.7 t -38.69 -59.81 1.26 Allowed Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.556 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.491 ' C ' ' H ' ' A' ' 82' ' ' LEU . 8.5 Cg_endo -50.62 -42.51 49.6 Favored 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 121.884 1.723 . . . . 0.0 111.998 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.53 ' HB2' HD23 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -52.57 -8.95 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.571 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.506 HD22 ' NE2' ' A' ' 51' ' ' HIS . 44.9 mt -102.08 -24.38 13.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.522 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 47.79 50.84 14.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.68 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 mt -61.82 134.48 56.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.569 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.53 160.92 26.03 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.403 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' A' ' 87' ' ' ALA . 43.1 Cg_endo -70.01 3.83 2.66 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 122.525 2.15 . . . . 0.0 112.272 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 86' ' ' PRO . . . -41.21 -94.63 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.67 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.532 ' H ' ' CD ' ' A' ' 88' ' ' GLN . 0.5 OUTLIER -103.36 -177.06 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.575 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' ' 90' ' ' TYR . 3.2 mm -84.94 157.48 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.559 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.478 ' N ' HG22 ' A' ' 89' ' ' ILE . 10.9 m-85 -136.01 168.81 18.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.673 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.532 ' NH1' HH11 ' A' ' 123' ' ' ARG . 11.2 ttt180 -148.12 112.42 5.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.449 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 82.3 t -96.8 118.88 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.3 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.9 m -102.59 121.6 42.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 27.9 m0 -100.6 131.14 46.67 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.98 0.419 . . . . 0.0 110.675 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -120.7 102.76 8.61 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 177.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -109.94 137.06 43.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.166 0.508 . . . . 0.0 111.934 -177.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.497 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 3.0 p -80.71 -26.59 37.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.453 178.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.702 ' CD2' HG22 ' A' ' 31' ' ' THR . 13.2 m95 -110.87 178.3 4.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.018 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.45 ' CB ' HG23 ' A' ' 129' ' ' ILE . 1.8 t -92.37 151.31 41.31 Favored Pre-proline 0 CA--C 1.532 0.272 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.581 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 99' ' ' SER . 64.2 Cg_exo -42.2 171.02 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.355 0 C-N-CA 122.195 1.93 . . . . 0.0 112.317 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.586 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 30.3 p -108.05 -126.8 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.391 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.586 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -73.42 105.74 4.92 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.2 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.88 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 89.4 p -40.03 -25.87 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.015 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.458 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -84.9 -29.34 25.28 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.201 -179.581 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -77.3 -61.69 2.58 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' CYS . . . . . 0.456 ' SG ' ' CB ' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -74.1 -69.17 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.688 0.28 . . . . 0.0 111.219 -179.644 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.88 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -50.69 -27.64 7.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.088 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.13 -56.89 10.49 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.17 -39.04 81.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.79 0.328 . . . . 0.0 110.528 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 91.0 t -69.48 -58.57 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.515 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -41.87 -59.02 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.438 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.28 -46.3 62.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.522 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.514 ' O ' ' N ' ' A' ' 117' ' ' ASN . 20.3 t80 -54.35 -48.44 71.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.627 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.448 ' C ' ' N ' ' A' ' 116' ' ' GLU . 6.9 mp -66.66 -58.52 4.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.573 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -47.71 -18.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.301 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 114' ' ' LEU . 30.2 tt0 -110.21 -25.4 10.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.709 ' O ' HG12 ' A' ' 120' ' ' VAL . 2.2 m-80 -137.03 53.9 1.88 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.843 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.0 t -61.83 2.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.827 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.48 ' H ' ' C ' ' A' ' 117' ' ' ASN . 1.4 p-80 -76.07 6.99 4.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.88 0.372 . . . . 0.0 110.313 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.709 HG12 ' O ' ' A' ' 117' ' ' ASN . 7.1 p -131.68 144.61 36.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.488 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.35 148.7 22.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.389 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.509 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -135.08 112.95 10.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.689 -179.557 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.532 HH11 ' NH1' ' A' ' 91' ' ' ARG . 17.1 mtp180 -112.58 127.06 55.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.123 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.0 mm -105.93 121.33 58.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.091 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.403 ' CD1' ' OE1' ' A' ' 157' ' ' GLU . 61.1 m-85 -119.89 101.77 8.1 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.807 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -91.64 111.29 22.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.159 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.497 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -76.38 -56.39 4.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.115 -179.54 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.758 HH12 ' H ' ' A' ' 25' ' ' GLY . 13.1 mtp180 -121.05 170.66 9.31 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.905 0.383 . . . . 0.0 110.784 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.45 HG23 ' CB ' ' A' ' 99' ' ' SER . 6.2 mt -133.94 124.66 47.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.753 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -165.38 107.72 0.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.509 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -171.31 138.78 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.63 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -75.25 9.99 1.79 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.394 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.516 ' C ' ' H ' ' A' ' 135' ' ' LEU . 50.6 m-20 -120.84 81.97 34.77 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.503 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.477 ' C ' ' H ' ' A' ' 136' ' ' TYR . 50.3 Cg_exo -50.18 -4.26 0.06 OUTLIER 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 122.527 2.151 . . . . 0.0 112.543 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.516 ' H ' ' C ' ' A' ' 133' ' ' ASP . 5.4 mt -49.99 -10.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.624 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.477 ' H ' ' C ' ' A' ' 134' ' ' PRO . 1.1 p90 -48.9 -30.81 6.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.524 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.409 ' CG ' ' N ' ' A' ' 138' ' ' GLU . 33.1 pttt -61.08 -45.67 93.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.266 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.409 ' N ' ' CG ' ' A' ' 137' ' ' LYS . 4.8 tt0 -61.85 -37.74 85.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.401 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -58.67 -38.57 78.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.387 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.8 mt -67.28 -38.15 84.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.571 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -74.32 -60.74 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.662 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.8 mmm -46.47 -38.29 8.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.505 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.496 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 16.8 mt -64.9 -49.1 71.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.421 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -49.09 -53.34 21.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.505 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.422 ' N ' ' OD1' ' A' ' 145' ' ' ASP . 1.6 m-20 -58.15 -11.15 2.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.531 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 143' ' ' LEU . . . -96.71 5.01 51.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.652 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 67.21 15.35 65.33 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -85.27 159.39 20.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.726 0.298 . . . . 0.0 110.579 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -96.7 134.09 40.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.55 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.87 116.58 30.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.537 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.18 160.21 42.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.612 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -85.79 142.38 13.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.49 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.54 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 4.5 ttt -49.91 122.31 6.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.521 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 25.1 p -100.51 177.12 5.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.688 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -63.64 -44.28 94.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.728 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.68 -46.11 90.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.622 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.403 ' OE1' ' CD1' ' A' ' 125' ' ' PHE . 65.1 mt-10 -64.66 -29.15 70.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.63 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.54 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 0.5 OUTLIER -64.78 -51.59 61.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.664 -179.9 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 159' ' ' LYS . . . . . 0.431 ' O ' ' OD2' ' A' ' 163' ' ' ASP . 32.3 tttm -56.41 -49.66 73.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.592 ' CD2' ' N ' ' A' ' 161' ' ' CYS . 0.6 OUTLIER -66.94 -57.85 6.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.849 -179.714 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.592 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 12.7 t -56.41 -23.37 37.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.021 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 162' ' ' TRP . . . . . 0.614 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 6.6 t-105 -71.02 -70.68 0.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.18 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 163' ' ' ASP . . . . . 0.614 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.3 OUTLIER -66.91 -14.32 62.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.652 -179.025 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 79.8 m -81.28 -27.0 35.28 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.126 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -121.85 19.63 10.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.752 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.54 ' C ' ' H ' ' A' ' 168' ' ' HIS . 75.5 t -134.14 153.48 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 121.062 0.458 . . . . 0.0 111.552 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 167' ' ' ASP . . . . . 0.414 ' N ' HG12 ' A' ' 166' ' ' VAL . 15.3 t70 -76.12 34.55 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.282 179.174 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.729 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -41.22 -54.33 2.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.733 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 169' ' ' GLN . . . . . 0.623 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 64.4 mt-30 41.93 16.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.141 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 170' ' ' GLY . . . . . 0.729 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 144.16 -2.5 1.36 Allowed Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.367 -0.693 . . . . 0.0 111.367 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.623 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 0.5 OUTLIER -98.97 107.19 42.46 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.783 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -77.12 158.34 33.91 Favored 'Trans proline' 0 N--CA 1.489 1.235 0 C-N-CA 121.711 1.607 . . . . 0.0 112.398 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -51.54 149.96 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.697 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -114.29 84.78 9.75 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.434 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -77.84 131.27 11.06 Favored 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 122.142 1.895 . . . . 0.0 112.198 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 27.9 p90 -92.27 176.18 6.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.564 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.28 86.46 5.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.366 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 180' ' ' ASP . . . -168.18 -22.33 0.02 OUTLIER Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 179' ' ' LEU . . . . . 0.527 ' H ' HD12 ' A' ' 179' ' ' LEU . 10.4 mp -39.38 -30.11 0.06 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.934 0.397 . . . . 0.0 110.657 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 180' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 178' ' ' GLY . 1.9 m-20 -55.97 -63.41 1.19 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.212 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -84.89 -54.89 4.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 182' ' ' HIS . . . . . 0.461 ' ND1' ' C ' ' A' ' 182' ' ' HIS . 0.0 OUTLIER -41.71 -44.0 3.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.052 -179.337 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 183' ' ' SER . . . . . 0.417 ' OG ' ' N ' ' A' ' 184' ' ' GLN . 5.5 p -78.99 -55.88 4.8 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.749 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 184' ' ' GLN . . . . . 0.417 ' N ' ' OG ' ' A' ' 183' ' ' SER . 31.6 mt-30 -49.23 -23.22 1.25 Allowed 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.402 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -79.29 -63.24 1.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.475 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 4.8 mt -58.77 -53.37 59.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.378 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 8.0 t -59.98 -43.33 95.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.257 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -51.64 -43.35 53.36 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 12.6 mmm-85 -59.84 -61.32 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.753 0.311 . . . . 0.0 110.234 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.9 mp -45.92 -45.11 15.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.35 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -53.15 -41.19 64.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.41 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -61.22 -41.85 97.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.563 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 193' ' ' ILE . . . . . 0.53 ' N ' HD12 ' A' ' 193' ' ' ILE . 1.8 mp -69.92 -34.79 61.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.466 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.46 -1.88 57.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.652 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -54.54 -15.75 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.566 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -62.76 -63.34 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.518 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.18 106.87 4.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.486 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 161.27 -138.45 5.46 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.535 -179.904 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.4 ' O ' ' OE2' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 1' ' ' MET . 1.4 mp0 -128.79 129.57 45.84 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.469 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -167.65 150.5 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.544 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.7 p 43.75 59.58 12.17 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.682 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -73.04 113.79 3.87 Favored 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 122.679 2.253 . . . . 0.0 112.146 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 49.78 179.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.648 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.0 t -103.33 -53.16 2.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.623 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.58 61.54 6.43 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -74.14 123.24 8.17 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.797 2.331 . . . . 0.0 112.33 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.3 mmt-85 -125.59 97.8 5.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.44 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.772 ' C ' HD13 ' A' ' 12' ' ' LEU . 1.6 t-80 69.38 92.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.287 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.904 ' H ' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -119.52 164.01 16.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.885 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 18.6 ptp -91.0 166.97 12.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.381 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.71 141.62 97.86 Favored Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.5 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.439 ' O ' ' OG1' ' A' ' 19' ' ' THR . 73.6 Cg_exo -41.14 -46.88 5.3 Favored 'Trans proline' 0 N--CA 1.489 1.259 0 C-N-CA 122.031 1.821 . . . . 0.0 112.366 179.464 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -67.49 -45.23 76.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.272 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.9 mm -48.84 -43.62 14.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.699 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -71.29 -60.96 1.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.788 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.529 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -44.48 -55.74 4.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.514 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.7 t -49.77 -52.1 34.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.685 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.42 ' OD1' ' CE1' ' A' ' 32' ' ' TYR . 6.8 m120 -63.02 -15.49 56.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.63 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -133.16 35.01 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.63 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 19' ' ' THR . 27.5 t-20 -98.69 59.56 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.613 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.429 ' O ' ' O ' ' A' ' 23' ' ' ASN . 0.6 OUTLIER 41.77 94.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.577 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.695 ' H ' ' HE ' ' A' ' 128' ' ' ARG . . . 105.14 166.99 23.98 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.493 ' C ' HD12 ' A' ' 26' ' ' ILE . 1.4 pp -140.39 -167.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 121.13 -0.228 . . . . 0.0 110.486 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -117.59 -88.76 1.33 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.97 137.1 3.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.0 110.617 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 47.3 68.48 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.471 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.85 20.48 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.33 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.678 HG22 ' CG ' ' A' ' 98' ' ' TRP . 30.0 p -46.93 127.25 9.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.798 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.42 ' CE1' ' OD1' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -109.11 147.65 32.1 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.525 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.7 tp -142.96 111.73 6.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.365 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.539 ' SG ' ' CG ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -100.19 115.15 29.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.143 179.585 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.468 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 42.0 p90 -104.17 134.45 47.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.727 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 1.3 tm-20 -129.76 130.96 46.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.415 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.679 HG21 ' ND1' ' A' ' 51' ' ' HIS . 58.9 t -104.67 118.94 52.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.775 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -122.26 166.31 14.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.304 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -128.71 133.42 48.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.185 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.411 ' CB ' HD11 ' A' ' 89' ' ' ILE . 1.4 mp -101.4 99.09 9.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.836 0.351 . . . . 0.0 110.672 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.83 99.08 8.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.564 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 54.12 48.3 21.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.691 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.51 -24.9 4.69 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.6 m -71.04 101.18 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.734 0.302 . . . . 0.0 110.585 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.7 p -90.56 122.99 33.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.539 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -133.76 124.97 48.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.606 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 pttp -81.71 139.54 34.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.548 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 mmt -76.45 161.41 28.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.601 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.91 -50.25 5.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.552 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.446 ' O ' ' CG ' ' A' ' 50' ' ' GLN . 1.4 pt20 -106.71 77.4 1.18 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.407 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.845 ' NE2' HD22 ' A' ' 82' ' ' LEU . 8.3 t-80 -172.29 2.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.518 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.401 ' H ' ' H ' ' A' ' 51' ' ' HIS . 1.4 ptt180 -113.34 170.14 8.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.665 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.468 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . 172.75 -167.7 40.61 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -144.29 156.52 44.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.786 0.327 . . . . 0.0 110.617 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.2 mt -137.5 178.61 6.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.583 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -154.93 151.02 28.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.377 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 15.4 p-10 -68.72 167.7 14.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.732 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 40.84 86.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.694 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.56 ' CB ' ' NH1' ' A' ' 74' ' ' ARG . . . -109.36 95.31 5.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.541 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.85 104.96 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.553 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -141.2 134.13 29.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.642 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.523 ' N ' HD22 ' A' ' 62' ' ' LEU . 3.9 mm? -86.11 -3.8 59.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.481 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 63' ' ' LEU . 10.9 mp -50.6 -50.79 53.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.671 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.469 ' O ' ' SG ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER -103.09 -11.36 18.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.551 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.19 -18.9 47.68 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 171.36 126.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 110.551 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -105.1 140.34 38.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.547 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -148.25 53.59 0.53 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -138.53 144.99 40.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.847 0.356 . . . . 0.0 110.588 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -52.52 170.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.523 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.46 -42.23 62.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.408 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -50.84 -35.9 34.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.621 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.7 mp -70.5 -54.0 13.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.531 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.56 ' NH1' ' CB ' ' A' ' 59' ' ' ALA . 68.3 ttt180 -55.52 -24.66 33.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.353 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -74.51 -49.43 22.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.235 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.4 tp -61.42 -19.46 61.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.469 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -40.31 94.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.625 -179.356 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 pp -95.25 -5.32 43.98 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.283 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.42 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 3.2 t -55.04 -58.06 16.6 Favored Pre-proline 0 CA--C 1.535 0.376 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.386 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 12.9 Cg_endo -56.82 -17.37 23.22 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.599 1.532 . . . . 0.0 111.827 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 p -66.74 -8.75 30.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.621 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.845 HD22 ' NE2' ' A' ' 51' ' ' HIS . 33.6 mt -92.28 -24.74 18.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.579 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 51.08 49.49 21.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.814 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.4 mt -58.25 136.86 57.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.348 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.0 161.38 25.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.62 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.88 -10.52 24.89 Favored 'Trans proline' 0 C--N 1.31 -1.481 0 C-N-CA 122.664 2.243 . . . . 0.0 112.1 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.85 -77.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.691 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.42 ' N ' ' OE1' ' A' ' 88' ' ' GLN . 2.4 mp0 -109.54 161.47 15.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.453 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.411 HD11 ' CB ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -89.08 153.33 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.415 179.877 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -129.23 132.17 47.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -97.97 110.58 23.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.771 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.7 t -90.64 110.28 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.203 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.74 119.36 32.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.67 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -103.55 132.02 50.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.786 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.535 ' CE1' ' OE1' ' A' ' 157' ' ' GLU . 79.5 m-85 -125.13 103.32 7.92 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.528 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.79 145.67 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.095 0.474 . . . . 0.0 111.886 -178.044 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.664 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 2.8 p -96.95 -29.54 13.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.955 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.678 ' CG ' HG22 ' A' ' 31' ' ' THR . 15.8 m95 -111.72 140.78 46.06 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.583 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.03 160.7 54.3 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.426 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -60.25 173.01 2.13 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 122.517 2.144 . . . . 0.0 112.108 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -111.76 -57.35 2.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.2 OUTLIER -127.0 109.28 11.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.859 179.817 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.528 ' O ' ' N ' ' A' ' 108' ' ' GLY . 93.5 p -41.11 -34.67 0.47 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.893 -179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -85.28 -22.81 28.42 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.371 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.36 -63.17 1.59 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.7 -67.99 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.643 0.258 . . . . 0.0 111.105 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.599 ' HB1' HD13 ' A' ' 143' ' ' LEU . . . -60.04 -31.06 69.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.935 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -65.23 -59.24 8.12 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -53.83 -27.91 32.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.91 0.386 . . . . 0.0 110.303 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.7 t -72.28 -63.01 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.75 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.408 HH22 ' HE2' ' A' ' 142' ' ' MET . 8.9 ptp180 -51.2 -32.2 22.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.205 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.36 -61.62 2.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.148 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.408 ' CZ ' ' CG1' ' A' ' 79' ' ' VAL . 31.6 t80 -46.29 -31.36 2.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.175 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.3 tp -70.92 -52.9 17.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.27 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -48.67 -24.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.36 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -99.15 -46.35 5.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.16 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.631 ' O ' HG22 ' A' ' 120' ' ' VAL . 0.7 OUTLIER -104.3 41.59 1.29 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.998 -179.493 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.454 ' C ' ' H ' ' A' ' 120' ' ' VAL . 15.1 t -45.56 -13.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.146 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.538 ' CE1' ' CG1' ' A' ' 120' ' ' VAL . 17.6 p80 -76.24 20.37 0.21 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.918 0.389 . . . . 0.0 110.579 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 117' ' ' ASN . 4.2 m -142.0 146.58 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.825 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.32 148.45 22.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.191 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.493 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -127.18 112.31 14.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.618 -179.655 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.493 ' N ' HD13 ' A' ' 122' ' ' LEU . 44.9 mtp180 -117.17 117.68 30.24 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.954 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.7 mt -105.63 134.76 46.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.372 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -127.13 116.25 20.37 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.438 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -95.31 113.83 25.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.254 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.664 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -85.93 -41.21 15.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.695 ' HE ' ' H ' ' A' ' 25' ' ' GLY . 0.5 OUTLIER -135.72 142.99 45.12 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.446 179.826 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.521 ' O ' ' CG ' ' A' ' 130' ' ' TYR . 0.5 OUTLIER -103.15 119.83 52.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.747 -179.754 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.521 ' CG ' ' O ' ' A' ' 129' ' ' ILE . 28.3 m-85 -164.64 119.77 1.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.451 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.47 ' C ' ' H ' ' A' ' 133' ' ' ASP . 1.8 p-10 -179.77 133.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.603 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -70.04 9.89 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.503 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.507 ' C ' ' H ' ' A' ' 135' ' ' LEU . 35.2 t0 -126.23 79.4 70.03 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.344 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.481 ' C ' ' H ' ' A' ' 136' ' ' TYR . 52.9 Cg_exo -49.11 -5.27 0.05 OUTLIER 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 122.669 2.246 . . . . 0.0 112.625 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.507 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.6 tp -49.17 -11.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.36 . . . . 0.0 110.63 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.481 ' H ' ' C ' ' A' ' 134' ' ' PRO . 0.1 OUTLIER -42.17 -26.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.534 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -62.83 -55.94 21.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.388 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -62.61 -18.77 62.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.432 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 136' ' ' TYR . . . -67.83 -52.02 41.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.449 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.422 HD21 HD11 ' A' ' 190' ' ' LEU . 9.8 mp -63.54 -35.61 81.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.52 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -71.58 -58.06 3.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.536 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.408 ' HE2' HH22 ' A' ' 111' ' ' ARG . 5.8 mmm -47.06 -36.44 8.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.491 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.599 HD13 ' HB1' ' A' ' 107' ' ' ALA . 2.1 tp -80.56 -34.01 35.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.585 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -52.98 -37.66 61.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.55 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.33 -3.04 58.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.525 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -95.29 -22.13 17.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.632 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 90.25 87.5 1.34 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -156.54 163.7 39.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.753 0.311 . . . . 0.0 110.537 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.1 108.31 19.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.678 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -116.82 121.35 67.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.436 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.36 162.09 41.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.825 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.3 tp -82.74 152.19 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.415 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 9.0 ttm -45.71 123.58 4.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.658 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' THR . . . . . 0.455 ' H ' ' HB2' ' A' ' 157' ' ' GLU . 2.6 p -105.41 171.98 7.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.477 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -55.84 -59.22 5.18 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.397 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 156' ' ' ASP . 13.2 p-10 -60.7 -20.44 61.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.543 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.535 ' OE1' ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -51.15 -66.19 0.43 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 -179.527 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.575 ' CE1' ' CE2' ' A' ' 173' ' ' PHE . 13.2 p90 -72.32 -29.69 64.06 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.136 -179.233 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' LYS . . . . . 0.445 ' N ' ' CD1' ' A' ' 158' ' ' PHE . 19.9 tttp -49.28 -60.75 2.55 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.543 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.552 ' CD2' ' N ' ' A' ' 161' ' ' CYS . 0.2 OUTLIER -68.22 -57.74 5.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.901 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.552 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 1.7 m -47.29 -31.58 3.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.837 -179.656 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 162' ' ' TRP . . . . . 0.514 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 15.5 t-105 -66.86 -70.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.475 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 163' ' ' ASP . . . . . 0.514 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -52.96 -19.42 2.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.843 -179.839 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 5.1 m -87.69 -57.13 3.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.955 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.539 ' CG ' ' SG ' ' A' ' 34' ' ' CYS . 65.4 m-85 -85.72 20.0 2.29 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.268 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.495 ' C ' ' H ' ' A' ' 168' ' ' HIS . 61.1 t -144.03 134.87 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.295 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 167' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 169' ' ' GLN . 10.3 t0 -74.98 41.52 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 178.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.693 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -44.47 -15.75 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.542 -179.612 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 169' ' ' GLN . . . . . 0.528 ' N ' ' O ' ' A' ' 167' ' ' ASP . 35.3 mm-40 42.78 15.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.474 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 170' ' ' GLY . . . . . 0.693 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 122.79 29.79 1.22 Allowed Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.439 -0.665 . . . . 0.0 111.439 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.625 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.8 OUTLIER -116.12 85.21 14.92 Favored Pre-proline 0 CA--C 1.534 0.333 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.695 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -47.96 162.17 0.3 Allowed 'Trans proline' 0 N--CA 1.492 1.412 0 C-N-CA 122.428 2.086 . . . . 0.0 112.582 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.575 ' CE2' ' CE1' ' A' ' 158' ' ' PHE . 56.1 t80 -54.53 149.92 9.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.175 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -114.51 86.0 11.87 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.203 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -78.13 139.17 16.79 Favored 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 122.167 1.912 . . . . 0.0 112.649 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 42.9 p90 -98.12 -165.64 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.525 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -101.72 109.99 21.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.627 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 152.24 -19.11 0.82 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.856 -0.897 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.3 mp -40.5 -41.52 1.45 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.736 0.303 . . . . 0.0 110.743 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 180' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 180' ' ' ASP . 17.4 p-10 -68.74 -52.18 33.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.839 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -60.84 -61.69 2.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.737 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -48.55 -55.0 12.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.603 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 59.3 p -50.01 -46.69 53.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.634 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -61.37 -36.97 81.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.536 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -70.05 -65.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.58 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 7.0 mt -52.3 -53.2 47.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.536 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 17.5 t -55.65 -33.16 63.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.502 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -59.06 -48.17 87.22 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 189' ' ' ARG . . . . . 0.503 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 24.9 ttp180 -60.19 -51.51 69.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 110.451 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.422 HD11 HD21 ' A' ' 140' ' ' LEU . 0.4 OUTLIER -47.88 -48.33 31.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.349 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -66.56 -27.64 67.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.56 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 192' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -60.88 -40.43 92.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.577 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 193' ' ' ILE . . . . . 0.562 ' N ' HD12 ' A' ' 193' ' ' ILE . 1.7 mp -84.79 -27.39 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.566 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.483 ' C ' ' H ' ' A' ' 196' ' ' ASN . 1.0 OUTLIER -94.06 17.3 12.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.644 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 195' ' ' GLN . . . . . 0.743 ' NE2' ' H ' ' A' ' 195' ' ' GLN . 0.0 OUTLIER -66.35 5.71 0.52 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.643 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 196' ' ' ASN . . . . . 0.483 ' H ' ' C ' ' A' ' 194' ' ' LEU . 1.9 m120 -92.46 84.03 5.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.52 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -102.39 175.12 5.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.538 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -143.13 98.01 0.21 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.569 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.6 141.38 56.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.566 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -99.44 36.0 1.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.55 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -42.7 163.02 0.15 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.475 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -38.55 107.43 0.06 OUTLIER 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.7 2.266 . . . . 0.0 112.21 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.03 -12.77 61.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.514 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.4 t -56.29 145.92 25.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.612 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -178.34 61.24 0.09 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -74.76 82.55 1.93 Allowed 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.772 2.314 . . . . 0.0 112.031 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.79 -109.35 0.33 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.598 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.411 ' C ' HD22 ' A' ' 12' ' ' LEU . 1.2 p-80 -132.85 78.15 1.78 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.485 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.832 HD22 ' N ' ' A' ' 12' ' ' LEU . 1.5 mm? -100.87 172.96 6.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.951 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.489 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 1.7 mpp? -84.56 160.33 20.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.216 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -76.33 145.77 76.74 Favored Pre-proline 0 CA--C 1.535 0.393 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.481 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -40.56 -53.01 2.9 Favored 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 122.172 1.915 . . . . 0.0 112.341 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -63.14 -49.23 75.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.099 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.9 mm -48.9 -39.8 11.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.85 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -72.16 -60.55 2.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.756 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 23' ' ' ASN . 40.0 p -47.89 -40.96 23.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.684 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 t -60.51 -51.04 71.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.638 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.449 ' OD1' ' CD1' ' A' ' 32' ' ' TYR . 25.4 m-80 -73.98 -4.71 36.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.574 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -133.26 25.22 4.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.539 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' A' ' 19' ' ' THR . 48.7 t-20 -75.08 59.39 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.498 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.475 ' O ' HG23 ' A' ' 26' ' ' ILE . 5.1 t-20 42.05 -144.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.472 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -42.75 126.25 4.64 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.475 HG23 ' O ' ' A' ' 24' ' ' ASN . 5.9 pt -135.12 -174.96 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.828 0.347 . . . . 0.0 110.576 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.79 83.35 0.08 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.522 ' O ' ' CH2' ' A' ' 98' ' ' TRP . 0.2 OUTLIER -162.52 157.35 22.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 110.526 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -93.65 82.15 4.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.537 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.405 ' HA ' HD21 ' A' ' 57' ' ' ASN . 4.0 ttpt -169.71 45.17 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.678 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.515 HG22 ' CG ' ' A' ' 57' ' ' ASN . 3.0 t -46.58 148.88 0.88 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.858 0.361 . . . . 0.0 111.125 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.449 ' CD1' ' OD1' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -110.43 148.27 32.37 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.643 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.407 HD12 ' N ' ' A' ' 34' ' ' CYS . 9.1 tp -138.55 111.13 7.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.152 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.407 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -104.41 112.17 25.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.329 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.562 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 20.8 p90 -102.53 139.52 38.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 1.1 tm-20 -125.51 139.17 53.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.198 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.771 HG11 ' CE1' ' A' ' 51' ' ' HIS . 8.7 t -110.17 128.22 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -136.61 149.58 48.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.389 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.488 ' NH1' ' OD2' ' A' ' 41' ' ' ASP . 58.4 ttt-85 -104.42 133.58 49.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.602 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 tp -91.31 127.94 36.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.578 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.488 ' OD2' ' NH1' ' A' ' 39' ' ' ARG . 1.7 t70 -143.38 106.71 4.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.609 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.443 ' C ' ' H ' ' A' ' 44' ' ' THR . 49.2 t30 57.12 43.46 24.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.565 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.15 -25.43 1.9 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.443 ' H ' ' C ' ' A' ' 42' ' ' ASN . 96.3 m -79.71 113.03 17.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 0.0 110.548 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.1 p -79.44 148.79 31.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.546 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.2 t -128.79 99.73 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.495 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -68.77 136.69 53.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.571 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 mtp -97.16 150.44 20.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.587 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -93.46 -50.08 5.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.635 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.578 ' NE2' ' O ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -100.14 74.5 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.482 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.771 ' CE1' HG11 ' A' ' 37' ' ' VAL . 24.2 t-80 -172.25 -5.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.476 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.415 ' H ' ' H ' ' A' ' 51' ' ' HIS . 0.1 OUTLIER -100.9 170.97 7.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.555 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -175.91 178.52 47.39 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -139.51 148.23 42.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.725 0.298 . . . . 0.0 110.566 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mt -135.87 176.21 8.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.579 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.704 ' C ' ' HB2' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -139.81 152.82 46.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.328 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.551 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 3.1 p-10 -51.09 173.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.612 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.401 ' OE1' ' CE1' ' A' ' 67' ' ' TYR . 0.5 OUTLIER 58.75 160.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.488 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -169.44 -81.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.53 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.6 9.13 2.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.578 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -101.78 32.0 3.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.537 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 pp -76.76 -29.89 56.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.582 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.25 -12.17 44.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.613 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.89 4.57 28.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.572 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.54 37.12 62.3 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -128.77 26.93 5.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.857 0.361 . . . . 0.0 110.5 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.401 ' CE1' ' OE1' ' A' ' 58' ' ' GLN . 5.0 t80 -43.99 133.39 5.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.663 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.94 33.29 11.15 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.3 ttt-85 -69.77 105.31 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.363 . . . . 0.0 110.584 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -44.65 126.95 5.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.623 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.704 ' HB2' ' C ' ' A' ' 56' ' ' HIS . . . -56.1 -15.24 3.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.27 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -48.2 -52.22 21.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.472 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.4 mt -63.07 -51.9 64.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.353 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.87 -28.36 22.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.3 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.562 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 54.9 t80 -79.8 -39.4 30.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.371 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.1 tp -58.77 -23.8 60.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.058 0.456 . . . . 0.0 110.055 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.1 -15.62 61.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.53 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.6 tt -93.42 -16.37 24.65 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.194 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.562 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -58.03 -42.05 93.1 Favored Pre-proline 0 CA--C 1.532 0.278 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.57 -178.923 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 9.5 Cg_exo -68.27 -24.07 38.04 Favored 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.519 2.146 . . . . 0.0 111.913 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -8.57 54.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.816 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.502 HD22 ' NE2' ' A' ' 51' ' ' HIS . 29.7 mt -98.29 2.29 48.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.778 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 51.63 12.36 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.662 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.598 HD11 ' CD1' ' A' ' 90' ' ' TYR . 0.9 OUTLIER -47.99 120.73 3.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.522 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.74 162.31 20.08 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -73.26 -25.91 15.19 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 C-N-CA 122.618 2.212 . . . . 0.0 112.005 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.47 -71.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.792 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.489 ' N ' ' OE1' ' A' ' 88' ' ' GLN . 0.8 OUTLIER -84.01 -175.61 5.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.526 -179.796 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.619 ' H ' HD12 ' A' ' 89' ' ' ILE . 0.2 OUTLIER -121.83 157.28 25.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.251 179.736 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.598 ' CD1' HD11 ' A' ' 84' ' ' LEU . 62.8 m-85 -150.69 135.91 17.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.96 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.58 HH21 ' CZ ' ' A' ' 123' ' ' ARG . 4.7 ttp180 -91.19 109.77 21.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.522 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 38.1 t -95.63 116.82 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.043 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.58 114.25 28.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.343 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 23.9 m0 -100.54 132.26 46.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.799 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -125.14 103.24 7.88 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.14 144.71 17.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.365 -178.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.647 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 1.6 p -94.58 -27.96 15.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.111 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.522 ' CH2' ' O ' ' A' ' 28' ' ' ARG . 17.5 m95 -111.65 147.08 36.29 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.169 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -70.3 157.92 88.79 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.642 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' A' ' 99' ' ' SER . 53.8 Cg_exo -42.32 171.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 122.462 2.108 . . . . 0.0 112.354 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 p -116.01 -44.68 2.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.292 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.524 ' O ' ' N ' ' A' ' 105' ' ' GLY . 3.2 t80 -143.79 114.39 7.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.976 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 54.1 p -42.88 -36.14 1.41 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.795 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -84.98 -19.2 32.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.086 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.45 -62.89 1.6 Allowed Glycine 0 CA--C 1.526 0.754 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.442 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.59 -69.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 0.0 111.328 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.97 -21.88 59.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.012 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -73.01 -59.6 4.22 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -53.13 -38.86 63.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.785 0.326 . . . . 0.0 110.548 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 74.6 t -69.68 -54.69 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.768 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 61.8 ttt-85 -44.94 -59.3 2.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.715 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.69 -61.55 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.473 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 117' ' ' ASN . 55.8 t80 -45.68 -42.97 12.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.376 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.46 ' C ' ' N ' ' A' ' 116' ' ' GLU . 1.5 mp -63.67 -58.57 6.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.502 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -46.86 -17.71 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.268 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.46 ' N ' ' C ' ' A' ' 114' ' ' LEU . 3.4 mt-10 -108.79 -30.18 8.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.099 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.633 ' O ' HG22 ' A' ' 120' ' ' VAL . 5.6 m120 -127.25 49.29 2.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.969 0.414 . . . . 0.0 110.78 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.406 ' C ' ' H ' ' A' ' 120' ' ' VAL . 0.1 OUTLIER -59.61 -1.0 0.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.777 179.884 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.475 ' H ' ' C ' ' A' ' 117' ' ' ASN . 7.9 p80 -76.31 13.35 0.95 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.945 0.402 . . . . 0.0 110.308 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 117' ' ' ASN . 15.4 m -131.89 133.51 60.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.689 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -91.51 100.71 13.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.192 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.474 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -86.74 112.6 21.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.64 -179.594 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.58 ' CZ ' HH21 ' A' ' 91' ' ' ARG . 17.8 mtm180 -112.31 120.36 41.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.167 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 12.6 mt -106.0 129.58 58.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.031 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -123.05 98.24 5.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.062 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.08 108.81 10.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.491 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.647 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -78.57 -38.79 39.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.455 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.488 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -138.63 147.53 43.02 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.678 179.878 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.444 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 0.9 OUTLIER -105.16 141.1 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.561 -179.869 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.444 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 4.4 m-85 -168.63 135.17 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.566 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.41 171.66 3.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.545 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -104.01 -16.97 15.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.588 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.45 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -139.05 162.65 51.18 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.48 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -70.52 17.93 0.23 Allowed 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.573 2.182 . . . . 0.0 112.103 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.45 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.3 mt -61.81 -34.06 75.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.628 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -52.26 -21.26 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.622 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -70.61 -53.83 14.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.522 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -67.21 -21.21 65.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.587 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.95 -50.46 49.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.508 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.617 ' CD2' HD21 ' A' ' 190' ' ' LEU . 1.6 mp -61.76 -48.23 81.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.62 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -63.19 -59.73 4.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.513 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -44.53 -31.39 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.583 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.1 tp -81.9 -39.18 24.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.569 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -51.63 -33.83 34.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.599 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -73.45 -16.05 61.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.601 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.7 -19.93 51.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.606 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 102.55 -22.5 37.22 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -54.24 164.29 0.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.492 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -101.69 130.12 47.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.524 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.15 110.88 17.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.54 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 34.8 t -149.74 162.06 41.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.54 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.536 ' N ' HD12 ' A' ' 152' ' ' ILE . 1.7 mp -80.01 137.03 22.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.487 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 1.1 tpt -43.53 133.18 4.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.562 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 60.4 p -104.3 151.91 22.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.56 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -45.42 -49.67 13.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.602 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -57.82 -49.99 74.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.483 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.22 -28.66 68.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.588 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.03 -38.89 86.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.531 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 17.1 tttm -65.96 -46.9 76.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.592 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.59 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.39 -52.7 24.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.349 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.59 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 10.7 t -58.19 -23.57 56.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.592 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 162' ' ' TRP . . . . . 0.629 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 3.8 t-105 -71.45 -70.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.822 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 163' ' ' ASP . . . . . 0.629 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -62.71 -26.47 68.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.126 -179.524 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 91.6 m -70.82 -23.14 62.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.412 -179.489 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.489 ' O ' ' SD ' ' A' ' 13' ' ' MET . 52.1 m-85 -121.31 18.75 11.45 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.575 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.482 ' C ' ' H ' ' A' ' 168' ' ' HIS . 25.0 t -142.25 137.87 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.814 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 167' ' ' ASP . . . . . 0.481 ' C ' ' N ' ' A' ' 169' ' ' GLN . 2.4 p-10 -71.95 41.33 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.039 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.701 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.2 OUTLIER -50.93 -11.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.07 -179.839 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 169' ' ' GLN . . . . . 0.481 ' N ' ' C ' ' A' ' 167' ' ' ASP . 7.2 mm100 44.72 14.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.958 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 170' ' ' GLY . . . . . 0.701 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 119.29 38.4 0.74 Allowed Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.626 -0.59 . . . . 0.0 111.626 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.696 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.1 OUTLIER -120.45 109.47 36.59 Favored Pre-proline 0 CA--C 1.538 0.485 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 179.634 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -78.76 132.03 10.57 Favored 'Trans proline' 0 N--CA 1.488 1.155 0 C-N-CA 121.832 1.688 . . . . 0.0 112.143 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.461 ' O ' ' CD2' ' A' ' 173' ' ' PHE . 1.2 t80 -83.94 119.48 24.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.671 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.18 156.56 46.2 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.93 138.15 30.74 Favored 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 122.382 2.055 . . . . 0.0 112.215 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -87.21 -171.54 3.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.333 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.87 94.65 9.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.402 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 138.66 -19.39 3.16 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 2.9 tt -44.88 -39.3 5.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.881 0.372 . . . . 0.0 110.546 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 180' ' ' ASP . . . . . 0.445 ' CG ' ' N ' ' A' ' 181' ' ' GLU . 0.9 OUTLIER -79.03 -44.07 22.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.537 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 181' ' ' GLU . . . . . 0.445 ' N ' ' CG ' ' A' ' 180' ' ' ASP . 59.7 mt-10 -54.58 -56.53 18.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.55 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -61.55 -52.99 62.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.549 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 58.5 m -48.17 -45.61 33.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.56 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -62.72 -39.86 95.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.565 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -62.36 -58.69 6.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.495 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 38.7 mt -59.81 -53.83 53.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.536 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 64.8 m -50.67 -41.69 55.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.573 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -55.81 -55.27 29.84 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.88 -55.53 9.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.844 0.354 . . . . 0.0 110.575 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.617 HD21 ' CD2' ' A' ' 140' ' ' LEU . 0.1 OUTLIER -56.84 -48.9 76.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.372 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 2.0 mtm-85 -49.54 -26.34 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.547 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -83.84 -33.7 24.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.541 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 19.1 mt -70.6 -34.76 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.53 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.532 HD23 ' H ' ' A' ' 198' ' ' GLY . 1.8 mp -69.52 3.56 2.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.55 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 52.4 89.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.584 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 50.78 52.12 15.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.611 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 62.47 142.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.572 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 198' ' ' GLY . . . . . 0.532 ' H ' HD23 ' A' ' 194' ' ' LEU . . . -84.86 15.96 39.75 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.584 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 ttp . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -167.94 -170.46 1.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.592 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -43.89 155.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.586 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.5 p -162.98 66.95 1.72 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.619 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -47.31 164.62 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.833 2.355 . . . . 0.0 112.07 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -99.47 50.02 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.588 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.0 p -101.53 -0.74 34.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.627 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.88 61.19 5.88 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -74.54 175.67 10.75 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.772 2.314 . . . . 0.0 112.145 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 -52.89 127.44 23.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.525 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.435 ' C ' HD12 ' A' ' 12' ' ' LEU . 1.7 t60 -95.42 117.38 30.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.591 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.436 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 7.6 mp -102.76 173.47 6.31 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.047 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 50.4 mtm -62.59 146.1 52.78 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.103 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 2.4 m-20 -65.66 141.71 97.93 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.599 -179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.408 ' O ' ' OG1' ' A' ' 19' ' ' THR . 85.0 Cg_exo -40.81 -55.46 2.0 Favored 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 122.079 1.853 . . . . 0.0 112.22 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -48.76 80.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.188 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.48 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 1.9 mm -48.89 -51.5 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.649 -179.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.42 ' CZ ' ' CD2' ' A' ' 22' ' ' PHE . 41.7 t80 -59.91 -60.87 3.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.663 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -45.34 -56.19 5.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.603 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -52.45 -31.25 33.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.636 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 17' ' ' ILE . 58.2 m-80 -87.16 -10.76 51.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.625 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.42 ' CD2' ' CZ ' ' A' ' 18' ' ' PHE . 45.0 m-85 -133.21 28.62 4.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.475 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 19' ' ' THR . 26.8 t-20 -90.81 105.94 18.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.515 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -41.26 150.59 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.614 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.661 ' H ' ' NH2' ' A' ' 128' ' ' ARG . . . 73.18 72.83 0.93 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.444 HG23 ' O ' ' A' ' 23' ' ' ASN . 1.1 pt -137.55 175.29 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.601 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -162.25 9.47 0.1 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.5 ' O ' ' CZ2' ' A' ' 98' ' ' TRP . 0.1 OUTLIER -71.56 153.86 41.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.58 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -95.78 84.89 3.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.499 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -171.35 51.21 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.718 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.522 HG22 ' CG ' ' A' ' 57' ' ' ASN . 5.7 t -46.67 147.6 1.21 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.842 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -110.93 147.71 34.06 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.608 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.589 HD23 ' N ' ' A' ' 34' ' ' CYS . 3.5 tt -138.44 114.41 10.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.647 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.589 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -106.83 116.26 31.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.268 179.579 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.465 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 12.2 p90 -107.27 134.48 50.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.681 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.409 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 2.0 tm-20 -128.31 143.3 51.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.458 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.699 HG21 ' CE1' ' A' ' 51' ' ' HIS . 38.5 t -108.45 135.39 47.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.791 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -141.37 122.12 14.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.488 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -93.2 138.7 31.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.57 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.491 HD12 ' HB ' ' A' ' 89' ' ' ILE . 32.7 mt -86.43 149.02 25.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.543 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.71 96.96 1.8 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.515 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.513 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 0.9 OUTLIER 58.62 52.67 6.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.576 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.28 -6.38 4.31 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.437 ' H ' ' C ' ' A' ' 42' ' ' ASN . 0.6 OUTLIER -95.57 110.35 22.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.341 . . . . 0.0 110.595 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.8 p -80.08 116.06 19.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.541 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 84.1 t -100.96 114.38 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.6 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -78.85 141.42 37.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.465 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.59 142.69 31.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.743 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.466 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -96.11 -50.17 4.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.469 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -92.85 59.01 3.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.408 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.711 ' NE2' HD22 ' A' ' 82' ' ' LEU . 25.3 t-80 -168.37 31.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.427 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.466 ' NH2' ' O ' ' A' ' 49' ' ' ASP . 0.4 OUTLIER -132.42 170.72 14.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.505 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -174.45 -178.82 44.64 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -149.47 138.94 21.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.712 0.291 . . . . 0.0 110.655 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 mp -135.35 162.08 33.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.513 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -131.05 160.64 34.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.45 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.522 ' CG ' HG22 ' A' ' 31' ' ' THR . 4.7 p-10 -78.28 149.71 33.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.624 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -85.96 7.5 24.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.485 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 60' ' ' LYS . . . 45.84 39.6 5.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.582 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 59' ' ' ALA . 27.3 mtpt 55.03 164.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.614 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -155.92 85.55 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.501 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -86.11 10.38 14.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.553 179.868 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 62' ' ' LEU . 3.5 mt -57.85 -50.93 71.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.616 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.32 12.08 24.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.603 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.45 34.58 39.78 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -135.83 99.83 4.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.815 0.341 . . . . 0.0 110.476 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.614 ' N ' ' CD1' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -82.39 143.55 31.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.536 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -87.57 -157.57 31.63 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.32 145.56 49.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.843 0.354 . . . . 0.0 110.424 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -48.56 175.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.577 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.03 -29.04 55.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.424 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.492 ' OE2' ' SG ' ' A' ' 106' ' ' CYS . 34.4 mt-10 -68.31 -36.9 80.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.409 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 73' ' ' LEU . 10.8 mp -72.72 -59.42 2.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.479 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.49 -30.67 8.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.382 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -74.12 -45.83 46.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.392 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -20.15 65.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.319 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -76.95 -27.83 54.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.011 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.654 ' C ' HD12 ' A' ' 78' ' ' LEU . 4.1 pp -106.14 7.25 31.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.584 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -64.29 -41.35 59.67 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 179.851 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 28.1 Cg_exo -58.88 -17.88 39.22 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.192 1.928 . . . . 0.0 111.84 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.1 m -56.89 -8.9 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.577 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.711 HD22 ' NE2' ' A' ' 51' ' ' HIS . 20.7 mt -101.19 -43.58 5.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.436 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 67.56 47.63 1.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.716 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 mt -56.16 136.06 52.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.44 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -101.6 157.48 33.59 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.476 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -69.9 -1.09 8.0 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 122.388 2.058 . . . . 0.0 112.096 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.65 -75.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.603 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.404 ' N ' ' OE1' ' A' ' 88' ' ' GLN . 4.2 mp0 -111.64 -179.58 3.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.462 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.491 ' HB ' HD12 ' A' ' 40' ' ' LEU . 1.5 mt -89.23 157.52 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.601 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.451 ' HB2' HG22 ' A' ' 120' ' ' VAL . 29.3 m-85 -133.5 161.1 35.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.687 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.409 ' HE ' ' HB2' ' A' ' 121' ' ' ARG . 17.4 ttm180 -142.75 103.95 4.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.553 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.0 t -89.06 123.11 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.433 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.24 117.04 30.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.745 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.559 ' CD1' HD21 ' A' ' 122' ' ' LEU . 14.9 m0 -100.25 132.48 45.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.008 0.433 . . . . 0.0 110.081 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.581 ' CE2' ' SG ' ' A' ' 161' ' ' CYS . 58.4 m-85 -125.41 102.87 7.61 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.51 129.18 63.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.573 -178.376 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.64 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 1.4 p -83.79 -27.87 28.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.247 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.5 ' CZ2' ' O ' ' A' ' 28' ' ' ARG . 19.3 m95 -113.05 139.2 48.89 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.361 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.85 163.0 0.88 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.635 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.62 167.34 27.39 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.651 2.234 . . . . 0.0 112.234 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.549 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 17.9 p -107.13 -142.29 0.38 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.338 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.549 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -44.2 100.18 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.485 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.894 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 16.7 t -40.85 -25.45 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.508 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.451 ' N ' ' O ' ' A' ' 102' ' ' PHE . 24.7 t90 -86.04 -28.25 24.26 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.598 -179.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -81.47 -61.88 2.03 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' CYS . . . . . 0.492 ' SG ' ' OE2' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -69.74 -68.98 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 0.0 110.928 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.894 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -52.31 -53.4 44.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.692 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -42.28 -56.57 3.98 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -46.82 -48.9 20.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.863 0.363 . . . . 0.0 110.115 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.25 -52.88 54.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.432 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.501 ' NH2' ' OE1' ' A' ' 115' ' ' GLN . 65.8 ttt-85 -42.01 -58.9 1.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.471 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.15 -55.35 8.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.291 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.512 ' O ' ' N ' ' A' ' 117' ' ' ASN . 17.1 t80 -51.96 -47.02 65.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.459 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 117' ' ' ASN . 2.4 mt -59.33 -58.46 8.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.492 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.501 ' OE1' ' NH2' ' A' ' 111' ' ' ARG . 21.6 mt-30 -48.97 -20.45 0.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.194 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 114' ' ' LEU . 3.1 mt-10 -109.92 -9.04 14.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.655 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 113' ' ' PHE . 35.2 m120 -134.11 37.44 3.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.753 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.2 p -48.14 -19.33 0.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.43 ' CD2' HG23 ' A' ' 120' ' ' VAL . 0.5 OUTLIER -81.71 17.11 1.55 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.872 0.368 . . . . 0.0 110.657 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.451 HG22 ' HB2' ' A' ' 90' ' ' TYR . 28.4 t -131.32 124.45 55.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.396 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.409 ' HB2' ' HE ' ' A' ' 91' ' ' ARG . 4.7 mmp_? -91.65 120.06 32.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.557 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.559 HD21 ' CD1' ' A' ' 94' ' ' TRP . 0.9 OUTLIER -105.72 133.44 50.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.799 -179.876 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.419 ' C ' HD12 ' A' ' 124' ' ' ILE . 12.1 mtm180 -124.19 122.59 38.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.129 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.466 ' N ' HD12 ' A' ' 124' ' ' ILE . 1.8 mp -105.2 130.83 55.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.78 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -124.93 99.4 6.12 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.472 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -76.96 101.74 6.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.438 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.64 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -73.23 -38.01 66.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.479 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.661 ' NH2' ' H ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -141.76 138.82 32.57 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.906 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -104.22 121.23 55.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.535 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.401 ' CD1' ' CZ3' ' A' ' 98' ' ' TRP . 91.5 t80 -104.66 153.8 20.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.416 179.67 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -86.97 79.14 8.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.611 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -91.07 -61.06 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.535 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.463 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -159.01 160.22 29.12 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.383 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -69.97 19.51 0.19 Allowed 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.525 2.15 . . . . 0.0 112.047 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.463 ' H ' ' C ' ' A' ' 133' ' ' ASP . 2.3 mm? -91.95 -23.96 19.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.499 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -46.13 -32.17 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.541 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 50.3 tttt -66.13 -58.76 4.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.503 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -51.48 -28.8 14.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.43 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.5 -56.68 11.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.4 mt -51.12 -32.29 22.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.457 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -79.7 -43.23 23.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.611 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.496 ' SD ' ' O ' ' A' ' 103' ' ' SER . 0.5 OUTLIER -55.29 -52.13 64.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.63 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 4.8 mt -64.87 -47.65 77.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.549 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 14.7 ttp85 -48.77 -33.6 10.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.566 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -82.84 -23.26 33.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.581 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -76.58 -16.81 59.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.549 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 102.37 -8.61 55.34 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -69.8 156.41 39.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 110.456 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -96.44 135.58 38.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.506 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.22 116.68 29.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.623 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.6 m -153.13 162.03 41.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.558 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 10.0 mt -82.09 128.38 38.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.475 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.587 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 2.9 ttm -49.07 123.97 8.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 72.3 p -95.22 176.28 6.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.631 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -61.49 -48.39 81.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.654 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.1 -54.49 42.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.503 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -56.41 -36.61 69.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.496 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.587 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.4 OUTLIER -59.5 -44.72 93.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.563 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 34.7 tttm -58.89 -43.27 90.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.773 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.599 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.25 -56.09 8.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.562 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.599 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 0.0 OUTLIER -58.85 -23.72 61.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.553 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 162' ' ' TRP . . . . . 0.635 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 4.4 t-105 -68.86 -70.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.945 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 163' ' ' ASP . . . . . 0.635 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -63.7 -29.12 70.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.267 -179.372 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 97.6 m -66.63 -25.25 66.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.07 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -121.26 18.96 11.49 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.071 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.525 ' C ' ' H ' ' A' ' 168' ' ' HIS . 71.3 t -135.08 146.29 30.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.806 0.336 . . . . 0.0 111.324 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 167' ' ' ASP . . . . . 0.431 ' O ' ' OD1' ' A' ' 167' ' ' ASP . 4.1 p30 -75.16 37.52 0.12 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.338 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.742 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -36.17 -57.14 0.73 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.162 -179.606 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 169' ' ' GLN . . . . . 0.631 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 89.0 mt-30 40.75 17.8 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.083 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 170' ' ' GLY . . . . . 0.742 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 142.85 -0.79 1.43 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.621 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 1.2 m -115.01 87.06 14.57 Favored Pre-proline 0 CA--C 1.531 0.231 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 172' ' ' PRO . . . . . 0.418 ' HA ' ' HE1' ' A' ' 162' ' ' TRP . 59.1 Cg_endo -80.37 160.22 22.8 Favored 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 122.29 1.993 . . . . 0.0 112.797 -178.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -53.51 141.34 25.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.6 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -124.1 86.68 53.93 Favored Pre-proline 0 CA--C 1.535 0.391 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.422 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -51.4 131.4 36.34 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.238 1.958 . . . . 0.0 112.083 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 14.7 p90 -101.25 157.97 16.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.59 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.82 91.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.585 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 165.58 -33.97 0.24 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.38 -47.55 69.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.756 0.312 . . . . 0.0 110.349 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -53.33 -61.99 1.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.51 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -50.6 -50.18 54.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.557 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -53.27 -48.02 68.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.542 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 6.4 p -48.0 -47.78 33.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.448 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -61.84 -32.67 73.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.524 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -69.13 -59.4 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.582 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.17 -55.06 32.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 96.4 p -44.61 -51.89 8.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.506 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -53.36 -44.45 65.87 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.856 -0.897 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -49.96 -57.65 7.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.739 0.304 . . . . 0.0 110.598 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.444 ' C ' ' N ' ' A' ' 192' ' ' ALA . 1.0 OUTLIER -61.88 -56.57 17.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.611 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -45.98 -18.82 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.615 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 192' ' ' ALA . . . . . 0.444 ' N ' ' C ' ' A' ' 190' ' ' LEU . . . -93.18 -55.5 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.809 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 193' ' ' ILE . . . . . 0.459 ' C ' ' H ' ' A' ' 195' ' ' GLN . 5.7 tt -59.08 -26.6 33.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.581 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 196' ' ' ASN . 2.3 tp -71.32 10.41 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.546 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 195' ' ' GLN . . . . . 0.459 ' H ' ' C ' ' A' ' 193' ' ' ILE . 2.1 mt-30 64.37 -69.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.544 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 196' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 194' ' ' LEU . 17.6 t30 60.67 131.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.56 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -83.63 141.16 31.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.592 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -101.58 -71.49 0.92 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 11.6 t30 . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.584 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 mmt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.61 80.55 4.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.519 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.93 149.38 25.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.589 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.3 t -155.12 61.01 2.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.659 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -74.58 167.46 27.06 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.683 2.255 . . . . 0.0 112.159 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 57.02 50.01 12.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 46.2 p -49.41 133.88 19.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.516 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -160.28 -171.78 26.64 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -48.11 167.92 0.1 OUTLIER 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.798 2.332 . . . . 0.0 112.07 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -153.99 145.39 23.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.627 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -146.5 77.07 1.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.435 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.839 HD22 ' N ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -100.48 173.98 6.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.276 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -80.24 167.13 20.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.267 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -71.48 142.31 86.4 Favored Pre-proline 0 CA--C 1.538 0.485 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.813 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -40.78 -44.71 4.78 Favored 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 122.23 1.953 . . . . 0.0 112.383 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -69.34 -45.57 69.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.301 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.2 mm -48.83 -37.78 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.939 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -74.97 -61.03 2.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.884 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.38 -24.31 11.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.638 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.3 p -73.69 -50.69 19.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.547 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.468 ' OD1' ' CD1' ' A' ' 32' ' ' TYR . 0.7 OUTLIER -65.17 -42.95 93.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.523 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -96.2 35.11 1.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.61 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.42 ' O ' ' O ' ' A' ' 24' ' ' ASN . 52.2 t30 -72.44 0.67 9.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.624 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.654 HD22 ' NH1' ' A' ' 128' ' ' ARG . 3.1 m120 58.72 118.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.627 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.9 99.87 0.51 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.448 ' C ' HD12 ' A' ' 26' ' ' ILE . 1.2 pp -142.42 -174.95 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.673 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -161.27 43.55 0.4 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.66 153.56 51.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.728 0.299 . . . . 0.0 110.518 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -90.62 97.23 11.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.609 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.7 tptm -170.6 44.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.403 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.732 HG22 ' CD2' ' A' ' 98' ' ' TRP . 2.6 p -46.92 162.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.046 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.468 ' CD1' ' OD1' ' A' ' 21' ' ' ASN . 0.4 OUTLIER -125.14 143.34 50.98 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.661 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.585 HD23 ' N ' ' A' ' 34' ' ' CYS . 3.4 tt -135.58 114.66 12.25 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.502 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.585 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -106.95 120.02 40.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.322 179.695 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.466 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 42.1 p90 -108.69 138.23 45.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.949 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -132.05 129.23 39.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.18 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.738 HG11 ' CE1' ' A' ' 51' ' ' HIS . 18.2 t -96.74 130.11 45.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.953 0.406 . . . . 0.0 111.336 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.427 ' OE1' ' OG1' ' A' ' 93' ' ' THR . 2.3 mt-10 -130.52 125.1 33.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.011 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -95.66 138.4 33.38 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.645 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.47 135.5 57.45 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.326 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -148.9 98.72 2.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.533 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 55.36 42.38 30.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.488 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.87 0.13 67.98 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.4 m -109.54 127.26 54.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.811 0.339 . . . . 0.0 110.563 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.411 ' O ' ' OG ' ' A' ' 45' ' ' SER . 4.5 p -89.13 109.37 20.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.504 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 67.7 t -97.56 126.48 50.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.539 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -87.04 137.94 31.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.727 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 44.6 mtm -98.14 151.77 20.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.505 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -84.98 -50.34 7.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.704 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -89.09 66.96 7.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.399 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.738 ' CE1' HG11 ' A' ' 37' ' ' VAL . 3.2 t-80 -172.16 -6.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.437 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.416 ' H ' ' H ' ' A' ' 51' ' ' HIS . 27.6 ptt180 -106.87 170.95 7.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.679 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.466 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . 179.45 -162.5 29.26 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -156.09 161.09 40.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.728 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mt -141.48 178.51 7.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.466 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.94 139.23 43.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.479 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 59' ' ' ALA . 13.4 t30 -63.21 159.29 18.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.654 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.417 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 25.1 mt-30 44.37 -96.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.613 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 58' ' ' GLN . . . 65.12 134.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.563 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 71.4 tttt -68.8 133.92 48.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.556 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -174.06 95.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.522 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.42 10.35 3.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.476 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.532 HD12 ' N ' ' A' ' 63' ' ' LEU . 9.0 mp -64.2 -32.31 73.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.598 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 21.5 m -103.37 -20.2 14.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.617 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.88 43.56 1.02 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 36.6 t80 60.82 72.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.702 0.287 . . . . 0.0 110.638 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -112.92 119.67 38.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.56 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -93.54 121.92 6.8 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -134.19 144.22 48.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 110.52 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.529 ' CD2' HD13 ' A' ' 73' ' ' LEU . 0.1 OUTLIER -65.59 144.48 56.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.49 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.467 ' HB1' ' HB2' ' A' ' 33' ' ' LEU . . . -41.73 -47.08 3.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.554 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.501 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 27.6 mp0 -58.16 -43.28 87.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.71 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.529 HD13 ' CD2' ' A' ' 70' ' ' HIS . 8.5 mp -64.2 -59.87 3.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.963 0.411 . . . . 0.0 110.538 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -44.7 -28.47 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.458 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -80.74 -35.89 32.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.65 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' LEU . 1.1 mm? -59.5 -22.27 61.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.138 0.494 . . . . 0.0 109.731 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.45 -16.03 60.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.204 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.687 HD23 ' OG ' ' A' ' 81' ' ' SER . 1.4 mt -94.12 -4.49 49.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.426 -179.219 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.532 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -59.74 -43.42 95.16 Favored Pre-proline 0 C--N 1.326 -0.422 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.284 -179.156 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 39.7 Cg_exo -57.02 -22.65 47.99 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.124 1.883 . . . . 0.0 111.848 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.687 ' OG ' HD23 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -79.07 -8.93 59.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.551 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.453 HD12 ' C ' ' A' ' 81' ' ' SER . 7.4 mp -103.32 -40.26 6.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.372 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 61.96 52.57 3.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.956 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 52.2 mt -70.44 101.82 2.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.22 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.516 ' O ' ' CE1' ' A' ' 119' ' ' HIS . 0.1 OUTLIER -87.57 161.26 45.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.603 -179.726 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -72.24 -20.69 24.32 Favored 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.658 2.239 . . . . 0.0 111.955 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.94 -75.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.499 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -99.41 175.12 5.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.318 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.552 HG23 ' O ' ' A' ' 119' ' ' HIS . 1.1 mt -100.92 155.15 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.907 0.384 . . . . 0.0 110.549 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 89' ' ' ILE . 71.0 m-85 -149.0 130.7 15.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.827 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.15 113.34 26.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.222 179.312 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.554 ' CG1' HD22 ' A' ' 122' ' ' LEU . 1.4 p -95.0 129.88 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.139 0.495 . . . . 0.0 110.146 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.427 ' OG1' ' OE1' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -100.84 119.61 38.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.966 -179.296 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -99.95 131.48 45.89 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.589 ' CZ ' ' SG ' ' A' ' 161' ' ' CYS . 52.8 m-85 -124.47 102.91 7.88 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.079 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.74 134.19 52.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.748 -178.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.643 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 0.3 OUTLIER -85.59 -22.91 27.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.751 178.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.732 ' CD2' HG22 ' A' ' 31' ' ' THR . 20.3 m95 -113.22 148.41 35.54 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.515 ' HB2' HG23 ' A' ' 129' ' ' ILE . 0.3 OUTLIER -67.48 165.81 26.67 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.469 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' A' ' 99' ' ' SER . 75.6 Cg_exo -42.44 170.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.528 0 C-N-CA 122.476 2.117 . . . . 0.0 112.186 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -116.78 -48.43 2.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.116 179.761 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.585 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.3 OUTLIER -157.61 111.87 2.62 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 178.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.482 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 10.0 t -39.65 -38.73 0.65 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.229 -179.381 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -84.9 -21.71 29.58 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.323 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.38 -63.0 1.59 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 91.8 m -78.57 -69.09 0.58 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.702 0.287 . . . . 0.0 111.045 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -56.36 -30.36 62.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.721 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.96 -60.24 7.52 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -52.69 -38.26 60.3 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.113 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.8 t -67.6 -46.15 83.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.206 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -51.09 -58.53 5.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.276 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.67 -51.37 21.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.472 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.529 ' O ' ' N ' ' A' ' 117' ' ' ASN . 5.1 t80 -50.19 -61.1 2.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.653 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.2 mt -50.71 -58.36 6.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.556 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -46.73 -22.78 0.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.463 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -110.31 -12.2 14.46 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.697 ' O ' HG22 ' A' ' 120' ' ' VAL . 32.0 m120 -139.59 44.77 1.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.329 . . . . 0.0 111.072 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -4.28 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.992 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.552 ' O ' HG23 ' A' ' 89' ' ' ILE . 5.9 p80 -77.15 14.43 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 0.0 110.797 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' ' 117' ' ' ASN . 21.8 m -140.54 155.26 22.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.56 148.41 25.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.429 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.554 HD22 ' CG1' ' A' ' 92' ' ' VAL . 0.2 OUTLIER -125.37 112.29 16.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.42 -179.624 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.483 ' N ' HD13 ' A' ' 122' ' ' LEU . 8.2 mtt180 -116.21 118.52 33.02 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.465 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 25.4 mt -106.52 136.22 42.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.252 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -128.64 100.6 5.8 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.572 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -79.05 108.07 12.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.333 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.643 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -81.0 -47.21 13.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.654 ' NH1' HD22 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -130.69 153.39 49.02 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.854 -0.339 . . . . 0.0 110.668 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.515 HG23 ' HB2' ' A' ' 99' ' ' SER . 10.9 mt -120.44 109.09 24.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.53 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.427 ' O ' ' O ' ' A' ' 131' ' ' ASP . 32.9 m-85 -152.49 26.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.576 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 130' ' ' TYR . 11.5 t70 -51.58 -173.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.613 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -93.92 -65.8 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.656 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.467 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.2 OUTLIER -98.5 160.2 28.64 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.517 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -70.56 27.73 0.2 Allowed 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 122.569 2.179 . . . . 0.0 112.282 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.467 ' H ' ' C ' ' A' ' 133' ' ' ASP . 0.7 OUTLIER -67.39 -14.82 63.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.576 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.658 ' OH ' HD12 ' A' ' 193' ' ' ILE . 2.2 p90 -54.46 -26.69 32.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.555 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -69.2 -62.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.584 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -50.92 -38.64 51.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.512 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.91 -39.71 92.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.571 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.18 -53.21 60.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.522 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -65.66 -50.68 64.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.609 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.477 ' CB ' ' OG ' ' A' ' 103' ' ' SER . 1.0 OUTLIER -50.1 -61.83 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.609 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 146' ' ' ALA . 3.5 tp -50.19 -55.71 14.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.534 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -45.84 -33.12 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.645 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.52 -21.38 32.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.565 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -78.09 -19.75 53.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.541 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 87.42 72.07 1.29 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -146.46 173.0 12.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 110.581 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.27 124.19 47.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.548 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.682 HG13 ' O ' ' A' ' 150' ' ' VAL . 12.1 p -132.09 111.71 18.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.47 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 57.1 m -146.28 162.31 38.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.679 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 3.2 mm -84.31 129.93 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.491 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -41.22 133.26 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.647 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 21.0 p -106.46 174.91 5.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.552 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.439 ' HB2' HD23 ' A' ' 179' ' ' LEU . 2.6 t80 -65.34 -57.3 8.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.586 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.36 -38.25 18.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -69.32 -42.66 75.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -51.65 -40.4 59.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.762 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -67.93 -56.41 9.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.771 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.419 ' O ' ' OD1' ' A' ' 163' ' ' ASP . 0.1 OUTLIER -53.84 -46.46 71.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.671 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.589 ' SG ' ' CZ ' ' A' ' 95' ' ' PHE . 1.3 m -68.7 -44.59 73.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.795 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 162' ' ' TRP . . . . . 0.642 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 3.1 t-105 -43.85 -69.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.801 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 163' ' ' ASP . . . . . 0.642 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.2 OUTLIER -60.72 -54.6 43.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.26 -179.333 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 93.7 m -46.29 -22.38 0.24 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.479 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -121.51 19.63 11.22 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.526 ' C ' ' H ' ' A' ' 168' ' ' HIS . 49.4 t -141.6 152.31 19.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.045 0.45 . . . . 0.0 111.621 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 167' ' ' ASP . . . . . 0.403 ' N ' ' CG1' ' A' ' 166' ' ' VAL . 8.7 m-20 -74.52 36.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.617 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.59 ' CD2' ' H ' ' A' ' 169' ' ' GLN . 9.1 p-80 -38.6 -46.94 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.297 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 169' ' ' GLN . . . . . 0.59 ' H ' ' CD2' ' A' ' 168' ' ' HIS . 46.7 mt-30 38.25 24.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.327 -0.852 . . . . 0.0 110.612 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 170' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 168' ' ' HIS . . . 129.68 2.9 5.19 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 168' ' ' HIS . 0.1 OUTLIER -102.69 105.08 42.67 Favored Pre-proline 0 CA--C 1.537 0.443 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -78.97 153.24 25.2 Favored 'Trans proline' 0 N--CA 1.487 1.133 0 C-N-CA 121.684 1.589 . . . . 0.0 112.106 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -51.54 147.06 6.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.526 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -113.17 88.87 13.11 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.794 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -78.67 131.07 10.1 Favored 'Trans proline' 0 C--N 1.315 -1.226 0 C-N-CA 122.088 1.859 . . . . 0.0 112.03 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 8.0 p90 -78.78 -179.51 6.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.385 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -96.26 86.23 4.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 160.65 38.26 0.02 OUTLIER Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 179' ' ' LEU . . . . . 0.439 HD23 ' HB2' ' A' ' 155' ' ' TYR . 2.9 mp -76.68 -50.12 14.45 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.905 -179.533 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 27.3 p-10 -59.7 -23.28 63.01 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.158 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -73.96 -61.99 1.66 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.16 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 182' ' ' HIS . . . . . 0.614 ' ND1' ' N ' ' A' ' 183' ' ' SER . 1.5 p80 -69.92 -42.29 73.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.919 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 183' ' ' SER . . . . . 0.614 ' N ' ' ND1' ' A' ' 182' ' ' HIS . 59.8 p -57.48 -52.31 65.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.561 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -59.2 -35.77 74.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.562 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -53.37 -56.8 13.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 18.0 mt -67.15 -52.49 40.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.568 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.17 -33.18 18.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.523 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -67.32 -53.8 23.54 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 189' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 0.1 OUTLIER -45.66 -52.21 11.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 110.584 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 192' ' ' ALA . 1.1 mp -61.72 -59.99 4.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.499 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 30.1 ttt85 -45.51 -16.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.639 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 192' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 190' ' ' LEU . . . -88.2 -43.43 11.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.759 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 193' ' ' ILE . . . . . 0.658 HD12 ' OH ' ' A' ' 136' ' ' TYR . 4.3 tt -75.14 -26.57 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.669 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.5 mt -92.53 -36.05 13.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.703 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 195' ' ' GLN . . . . . 0.58 ' NE2' ' OD1' ' A' ' 196' ' ' ASN . 0.0 OUTLIER -109.44 -147.29 0.41 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.062 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 196' ' ' ASN . . . . . 0.58 ' OD1' ' NE2' ' A' ' 195' ' ' GLN . 1.1 p-10 -165.29 67.06 0.13 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.855 0.36 . . . . 0.0 110.557 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 50.02 -172.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.596 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -138.51 43.64 1.17 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 17.3 m120 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.61 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -81.32 12.97 3.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.554 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.64 96.5 8.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.546 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.566 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -96.01 -43.82 0.26 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 4' ' ' SER . 29.2 Cg_exo -58.86 152.63 56.2 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.463 2.109 . . . . 0.0 112.051 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -169.82 -11.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.516 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.11 135.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.518 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.69 -59.71 2.31 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -47.08 132.3 18.02 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.725 2.283 . . . . 0.0 112.1 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.7 mtt-85 -138.75 145.19 39.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.569 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -153.0 64.15 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.463 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.517 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 6.0 mp -94.71 173.03 7.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.022 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 31.2 mtm -64.09 137.24 57.88 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.45 147.12 77.67 Favored Pre-proline 0 C--N 1.327 -0.386 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.44 -179.517 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.43 ' O ' ' OG1' ' A' ' 19' ' ' THR . 71.7 Cg_exo -39.94 -44.85 3.75 Favored 'Trans proline' 0 N--CA 1.489 1.23 0 C-N-CA 122.244 1.963 . . . . 0.0 112.096 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -72.44 -50.14 28.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.098 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.9 mm -48.69 -40.73 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.592 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 28.5 t80 -66.6 -57.07 7.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.425 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -51.71 -59.21 4.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.496 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t -54.1 -26.96 30.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.48 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.523 ' OD1' ' CD1' ' A' ' 32' ' ' TYR . 8.4 t30 -86.43 -9.66 55.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.54 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.521 ' O ' ' NH2' ' A' ' 128' ' ' ARG . 19.1 m-85 -133.43 18.74 3.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.507 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 19' ' ' THR . 13.9 p-10 -66.3 119.25 11.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.504 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -58.8 157.1 10.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.57 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.4 92.93 0.02 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 pt -135.09 -170.23 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.753 0.311 . . . . 0.0 110.583 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.61 -23.2 0.02 OUTLIER Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -170.07 120.06 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.322 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.518 ' CG ' ' N ' ' A' ' 30' ' ' LYS . 16.7 t60 -157.61 -88.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.565 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.518 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 7.9 mtpt 179.81 121.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.44 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.5 p -58.0 120.92 9.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.777 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.523 ' CD1' ' OD1' ' A' ' 21' ' ' ASN . 1.0 OUTLIER -106.46 141.54 37.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.516 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 tt -136.26 123.16 21.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.69 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.18 110.35 20.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.056 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.625 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 11.0 p90 -101.39 142.59 32.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -129.17 160.72 32.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.892 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.646 HG21 ' CE1' ' A' ' 51' ' ' HIS . 48.5 t -132.36 127.26 56.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.373 . . . . 0.0 110.851 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -140.13 152.44 46.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.332 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.91 139.45 35.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.61 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.55 122.4 44.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.573 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.32 114.63 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.47 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.479 ' C ' ' H ' ' A' ' 44' ' ' THR . 0.5 OUTLIER 58.25 39.66 25.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.493 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.73 -24.97 1.18 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.479 ' H ' ' C ' ' A' ' 42' ' ' ASN . 57.5 m -71.62 120.25 16.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 110.63 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.74 119.84 37.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.577 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.5 t -100.04 99.17 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.571 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.8 tttm -72.22 137.59 46.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.575 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -96.08 149.61 21.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.634 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.02 -50.24 4.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.49 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -98.82 73.07 1.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.346 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.837 ' HE2' HD22 ' A' ' 82' ' ' LEU . 43.5 t-80 -172.1 -1.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.451 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.409 ' H ' ' H ' ' A' ' 51' ' ' HIS . 30.7 ptt180 -103.05 170.94 7.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.41 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -175.01 172.94 45.94 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -141.93 136.9 30.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.812 0.339 . . . . 0.0 110.616 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mp -137.12 177.83 7.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.568 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.503 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 1.3 p80 -138.61 166.0 25.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.326 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -83.54 -168.47 2.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.625 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -118.06 139.48 51.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.554 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.95 -93.71 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.508 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.441 ' C ' ' ND2' ' A' ' 61' ' ' ASN . 22.3 tttm -101.66 115.16 29.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.5 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.441 ' ND2' ' C ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -162.83 113.06 1.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.535 -179.853 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.2 tp -84.91 -0.11 53.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.455 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.3 mp -48.15 -40.37 23.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.38 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 20.8 m -101.71 -9.43 20.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.39 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.5 39.38 2.24 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.6 t80 65.8 70.26 0.44 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.668 0.27 . . . . 0.0 110.768 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -117.46 150.75 38.39 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.531 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -102.24 79.6 0.36 Allowed Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.33 105.45 10.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.358 . . . . 0.0 110.515 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -61.23 157.65 15.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.598 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.89 -50.45 56.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.44 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -42.39 -46.28 4.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.652 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.94 -60.13 3.4 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.463 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -49.37 -24.77 2.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.08 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.625 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 2.2 t80 -84.42 -46.48 11.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.432 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -43.1 -36.92 1.81 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.432 -179.806 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.02 -16.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.101 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' A' ' 76' ' ' LEU . 2.4 mm? -66.97 -47.52 71.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.323 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.0 t -44.42 -58.73 4.7 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-O 119.316 -0.373 . . . . 0.0 111.936 -178.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -35.25 -39.78 0.25 Allowed 'Trans proline' 0 N--CA 1.489 1.232 0 C-N-CA 122.112 1.875 . . . . 0.0 112.502 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.7 t -76.34 -50.09 15.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.837 HD22 ' HE2' ' A' ' 51' ' ' HIS . 27.5 mt -65.33 -56.51 12.23 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.368 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 58.78 52.44 6.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.002 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.3 mt -50.37 145.73 6.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.289 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.57 160.14 27.2 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.605 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -70.41 -9.8 26.66 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.617 2.211 . . . . 0.0 112.024 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.61 -80.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.6 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -100.89 164.55 11.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.552 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -84.92 162.37 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.538 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.644 ' HB2' HG12 ' A' ' 120' ' ' VAL . 34.8 m-85 -139.64 167.26 22.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.493 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -138.55 110.6 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.524 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.435 ' HB ' HD22 ' A' ' 122' ' ' LEU . 3.0 t -95.12 123.58 47.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.234 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.64 114.13 28.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 -179.624 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 23.1 m0 -100.4 133.28 45.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.243 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.59 ' CD1' ' SG ' ' A' ' 161' ' ' CYS . 48.4 m-85 -129.17 103.38 6.93 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.076 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.26 146.9 15.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.914 -178.253 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.663 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 22.2 p -96.89 -28.78 14.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.714 179.002 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -111.74 143.75 42.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.381 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.72 159.6 67.55 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.438 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.5 150.54 46.17 Favored 'Trans proline' 0 N--CA 1.494 1.554 0 C-N-CA 122.597 2.198 . . . . 0.0 112.406 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.647 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 1.8 p -83.58 -150.38 0.1 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.647 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.2 OUTLIER -34.16 104.92 0.03 OUTLIER 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.167 0.508 . . . . 0.0 110.138 179.381 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.893 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 11.5 p -37.54 -23.89 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.194 -179.594 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.547 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.2 OUTLIER -80.51 -31.89 37.05 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.853 -179.014 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -71.25 -63.81 2.98 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.773 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.22 -69.39 0.58 Allowed 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.165 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.893 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -45.61 -43.11 12.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.795 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.88 -55.63 28.68 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -50.05 -42.23 49.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.807 0.337 . . . . 0.0 110.799 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 42.7 t -69.65 -52.78 28.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.801 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -41.66 -58.57 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.602 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.16 -52.99 59.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.58 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -46.14 -39.74 9.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.507 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.471 ' C ' ' N ' ' A' ' 116' ' ' GLU . 1.0 OUTLIER -72.15 -57.1 4.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.437 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -46.87 -15.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.624 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.471 ' N ' ' C ' ' A' ' 114' ' ' LEU . 0.3 OUTLIER -108.68 -45.73 3.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.963 -179.841 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.818 ' O ' HG22 ' A' ' 120' ' ' VAL . 6.4 m120 -115.02 49.28 1.06 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.74 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.6 t -60.5 -0.22 0.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.82 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.486 ' H ' ' C ' ' A' ' 117' ' ' ASN . 8.9 p80 -79.62 13.62 1.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.846 0.355 . . . . 0.0 110.527 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.818 HG22 ' O ' ' A' ' 117' ' ' ASN . 34.8 m -134.92 145.88 31.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.542 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -91.51 148.32 22.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.32 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.497 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -131.76 112.4 12.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.501 -179.794 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.497 ' N ' HD13 ' A' ' 122' ' ' LEU . 65.9 mtp180 -115.07 117.74 31.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.199 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 5.7 mt -105.77 127.71 60.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.044 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.491 ' CD2' ' CE1' ' A' ' 95' ' ' PHE . 75.2 m-85 -119.9 98.06 5.91 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.528 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -78.93 106.2 10.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.332 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.663 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -77.48 -40.84 41.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.556 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.521 ' NH2' ' O ' ' A' ' 22' ' ' PHE . 4.1 tpp180 -136.43 143.05 43.7 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.562 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.518 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 1.1 mt -102.95 118.95 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.609 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 13.3 m-85 -162.38 117.64 1.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 29.6 p30 -151.25 -163.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.437 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -92.28 -63.11 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.585 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.482 ' C ' ' H ' ' A' ' 135' ' ' LEU . 1.1 m-20 -108.5 157.74 35.75 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.318 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -69.87 29.32 0.18 Allowed 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.395 2.063 . . . . 0.0 112.152 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.482 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.9 mt -66.49 -14.68 62.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.778 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 136' ' ' TYR . 2.2 p90 -48.76 -30.05 5.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.6 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 14.2 ttpp -62.45 -58.3 8.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.486 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -49.36 -36.29 21.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.499 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.29 -51.76 67.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.549 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -50.76 -40.11 54.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.456 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -60.15 -60.47 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.66 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -53.25 -52.48 58.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.601 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.536 HD12 ' HB3' ' A' ' 148' ' ' ALA . 0.8 OUTLIER -42.23 -58.13 2.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.394 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.7 ttm105 -52.33 -36.53 53.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.539 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.51 -11.77 61.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.569 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -93.08 -23.88 18.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.531 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 87.5 31.79 15.23 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.536 ' HB3' HD12 ' A' ' 143' ' ' LEU . . . -101.04 175.92 5.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.542 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -104.22 128.14 51.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.547 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 3.2 m -132.2 114.59 24.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.518 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 7.3 m -152.22 162.02 41.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.619 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 2.3 mt -84.48 130.03 36.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.507 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.586 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 8.6 ttt -45.88 123.57 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.535 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 12.6 p -102.26 176.28 5.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.69 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.414 ' HB2' HD13 ' A' ' 179' ' ' LEU . 5.9 t80 -59.16 -58.18 9.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.586 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.89 -57.56 2.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.5 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.448 ' OE2' ' CE1' ' A' ' 125' ' ' PHE . 22.2 mt-10 -51.23 -56.61 12.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.713 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.586 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 1.1 m-85 -41.55 -43.5 2.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.69 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' LYS . . . . . 0.431 ' O ' ' OD2' ' A' ' 163' ' ' ASP . 9.1 ttpp -59.98 -46.23 90.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.582 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.618 ' CD2' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -68.88 -57.53 5.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.525 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.618 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 1.5 m -55.26 -23.96 25.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 162' ' ' TRP . . . . . 0.628 ' CE3' HG21 ' A' ' 166' ' ' VAL . 4.5 t-105 -70.41 -70.02 0.32 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.719 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 163' ' ' ASP . . . . . 0.621 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.5 OUTLIER -60.91 -14.41 22.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.262 -179.612 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 41.2 m -86.81 -28.3 23.02 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.368 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -119.56 16.83 12.89 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.304 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.628 HG21 ' CE3' ' A' ' 162' ' ' TRP . 96.8 t -130.89 142.67 43.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.807 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 167' ' ' ASP . . . . . 0.493 ' C ' ' H ' ' A' ' 169' ' ' GLN . 7.6 p-10 -79.16 36.98 0.3 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.128 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.629 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -49.92 -10.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.579 -179.722 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 169' ' ' GLN . . . . . 0.493 ' H ' ' C ' ' A' ' 167' ' ' ASP . 7.9 mm-40 52.73 7.97 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.444 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 170' ' ' GLY . . . . . 0.629 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 121.35 32.1 1.09 Allowed Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.602 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.0 OUTLIER -111.31 148.87 39.66 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 116.703 0.251 . . . . 0.0 110.365 179.714 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -77.35 172.44 15.96 Favored 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 122.363 2.042 . . . . 0.0 112.551 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -84.87 150.52 24.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.431 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -108.91 96.01 19.04 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.689 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -80.41 148.98 18.85 Favored 'Trans proline' 0 N--CA 1.488 1.197 0 C-N-CA 122.101 1.867 . . . . 0.0 112.204 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 16.1 p90 -82.08 155.1 25.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.56 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.43 101.69 4.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.6 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 143.11 -8.76 2.2 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 179' ' ' LEU . . . . . 0.577 HD23 ' O ' ' A' ' 179' ' ' LEU . 1.1 tt -41.77 -45.15 3.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.778 0.323 . . . . 0.0 110.542 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.58 -60.75 2.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.563 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 181' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 184' ' ' GLN . 67.1 mt-10 -56.76 -61.41 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.62 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -42.34 -49.45 5.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 9.5 t -56.33 -37.62 70.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.575 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 184' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 181' ' ' GLU . 0.7 OUTLIER -64.03 -32.19 73.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.61 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -73.97 -57.71 3.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.619 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 186' ' ' LEU . . . . . 0.527 HD22 ' N ' ' A' ' 186' ' ' LEU . 4.0 mm? -61.46 -52.22 65.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.393 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 30.7 t -51.27 -46.91 62.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.313 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -56.81 -35.34 67.57 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -59.78 -53.13 61.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.809 0.338 . . . . 0.0 110.396 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.0 tp -72.09 -22.93 61.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.652 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -76.35 -23.76 54.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.516 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -82.1 -48.04 11.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.611 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 2.5 tt -68.55 -28.04 38.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.683 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' A' ' 196' ' ' ASN . 1.9 tp -92.86 -14.59 27.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.608 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 55.37 -81.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.689 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 196' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 194' ' ' LEU . 0.4 OUTLIER -161.54 101.49 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.64 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -44.13 131.94 5.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.572 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -92.66 -67.03 1.1 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.515 -179.885 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.5 mtm . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 65.07 158.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.497 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.94 128.31 35.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.556 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.2 t -170.88 61.34 0.36 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.594 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -75.28 -170.12 0.75 Allowed 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.777 2.318 . . . . 0.0 112.285 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -152.06 175.8 12.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.467 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.12 12.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.762 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.94 -179.74 51.95 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -42.85 139.13 3.52 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.733 2.288 . . . . 0.0 112.068 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -134.63 -109.76 0.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.744 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.833 ' C ' HD23 ' A' ' 12' ' ' LEU . 1.7 m-70 69.43 101.19 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.516 0.674 . . . . 0.0 110.896 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.868 HD12 ' O ' ' A' ' 166' ' ' VAL . 0.0 OUTLIER -113.34 175.06 5.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.708 -1.133 . . . . 0.0 109.835 -178.835 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.591 ' SD ' ' CE2' ' A' ' 54' ' ' PHE . 2.7 mpp? -60.48 167.52 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.37 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.44 153.15 50.57 Favored Pre-proline 0 CA--C 1.534 0.346 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.933 -179.101 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.422 ' O ' ' OG1' ' A' ' 19' ' ' THR . 72.1 Cg_exo -41.07 -56.01 1.87 Allowed 'Trans proline' 0 N--CA 1.49 1.322 0 C-N-CA 122.541 2.161 . . . . 0.0 112.507 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -59.97 -51.62 68.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.975 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.2 mm -48.77 -37.49 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.63 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -74.87 -60.83 2.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.785 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.2 OUTLIER -50.31 -60.0 3.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.596 -179.906 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.7 m -51.9 -43.05 63.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.579 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.554 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 0.8 OUTLIER -62.52 -39.91 95.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.685 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -100.08 23.58 9.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.615 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -56.77 101.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.553 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.86 150.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.546 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.63 99.54 0.01 OUTLIER Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.462 ' CD1' ' HE1' ' A' ' 98' ' ' TRP . 4.4 pt -136.55 -173.14 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.717 0.294 . . . . 0.0 110.62 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -151.27 -43.03 0.02 OUTLIER Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -172.05 127.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 110.437 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -163.55 -72.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.49 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.69 90.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.305 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.5 t -46.66 150.93 0.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.949 0.404 . . . . 0.0 111.303 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.534 ' HB2' HD22 ' A' ' 21' ' ' ASN . 0.2 OUTLIER -114.79 147.34 39.92 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.472 179.808 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.9 tp -135.4 107.57 7.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.161 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.37 115.71 31.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.348 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.518 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 34.9 p90 -106.36 137.04 45.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -123.92 129.42 50.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.22 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.747 HG11 ' CE1' ' A' ' 51' ' ' HIS . 11.5 t -100.07 126.01 53.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.965 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.11 154.21 45.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.279 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -121.45 142.0 50.46 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.528 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.55 ' N ' HD22 ' A' ' 40' ' ' LEU . 3.8 mm? -78.89 143.71 35.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.549 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.85 101.1 2.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.486 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.7 t30 57.62 30.13 18.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.403 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.69 0.48 81.66 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.54 121.52 42.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.78 0.324 . . . . 0.0 110.623 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.426 ' O ' ' OG ' ' A' ' 45' ' ' SER . 1.2 p -89.3 110.69 21.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.55 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.4 p -101.83 134.07 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.586 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -94.75 140.71 29.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.622 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.5 mtm -103.14 143.44 32.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.45 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -84.38 -50.62 7.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.758 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.82 66.07 9.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.011 0.434 . . . . 0.0 110.234 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.747 ' CE1' HG11 ' A' ' 37' ' ' VAL . 17.8 t-80 -173.15 -8.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.405 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.7 ptt85 -100.93 170.79 8.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.502 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.413 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . -176.65 -179.65 47.18 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.591 ' CE2' ' SD ' ' A' ' 13' ' ' MET . 3.8 p90 -146.74 141.93 27.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.751 0.31 . . . . 0.0 110.55 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 mt -128.87 174.95 9.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.607 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.469 ' N ' ' ND1' ' A' ' 56' ' ' HIS . 1.4 p-80 -137.15 157.8 45.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.432 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.51 172.39 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.773 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.432 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 1.5 mt-30 56.77 171.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.705 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.537 ' CB ' ' HE ' ' A' ' 74' ' ' ARG . . . 176.7 97.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.541 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 54.49 177.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.56 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 61.12 45.59 8.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.549 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.47 ' N ' HD12 ' A' ' 62' ' ' LEU . 9.5 mp -76.88 -40.86 46.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.619 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.1 mp -78.17 -40.71 36.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.566 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 9.0 t -63.03 -15.05 55.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.621 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.0 2.42 46.64 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.02 -26.68 68.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.807 0.337 . . . . 0.0 110.538 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 11.7 p90 -55.21 148.48 14.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.53 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 149.13 49.58 0.02 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -135.94 145.23 46.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.698 0.285 . . . . 0.0 110.59 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -75.1 141.99 43.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.538 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.0 -29.18 19.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.483 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -51.38 -50.83 58.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.646 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.38 -46.26 89.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.712 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.537 ' HE ' ' CB ' ' A' ' 59' ' ' ALA . 18.4 mmt-85 -59.09 -27.45 65.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.584 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.518 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 29.3 t80 -78.31 -47.47 17.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.532 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 tp -68.27 -19.69 64.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.722 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.13 -25.11 67.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.503 -179.357 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.666 ' C ' HD12 ' A' ' 78' ' ' LEU . 3.4 pp -114.25 3.41 15.11 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.618 0.247 . . . . 0.0 111.16 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.445 ' N ' HD12 ' A' ' 78' ' ' LEU . 1.4 t -56.57 -47.94 98.05 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.357 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 38.0 Cg_endo -72.82 -17.04 26.0 Favored 'Trans proline' 0 N--CA 1.489 1.24 0 C-N-CA 121.434 1.423 . . . . 0.0 111.884 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.9 -14.72 60.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.402 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.505 HD22 ' NE2' ' A' ' 51' ' ' HIS . 12.6 mt -78.83 -20.88 48.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.442 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.425 ' CB ' ' O ' ' A' ' 82' ' ' LEU . 3.7 tt0 77.55 36.04 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.0 mt -67.06 153.16 44.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.437 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.22 161.6 60.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.55 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -71.39 -12.93 30.24 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.533 2.155 . . . . 0.0 112.302 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.27 -79.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.518 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -94.0 158.99 15.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.305 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 90' ' ' TYR . 3.4 mm -89.75 156.89 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.559 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.486 ' N ' HG22 ' A' ' 89' ' ' ILE . 78.2 m-85 -139.07 152.05 47.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.772 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -117.97 102.82 9.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.205 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 41.0 t -94.86 119.34 42.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.521 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.3 m -106.13 121.44 44.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.636 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.453 ' CD2' HD11 ' A' ' 122' ' ' LEU . 32.8 m0 -100.32 132.69 45.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.03 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -119.03 102.69 8.93 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.426 HD11 HG23 ' A' ' 124' ' ' ILE . 0.0 OUTLIER -110.8 140.1 31.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.81 -178.053 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.619 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 9.0 p -90.88 -27.4 18.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.926 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.462 ' HE1' ' CD1' ' A' ' 26' ' ' ILE . 8.5 m95 -111.59 153.54 26.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.35 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.84 162.41 74.24 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.258 179.501 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -68.83 162.99 39.09 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.548 2.165 . . . . 0.0 112.258 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 6.4 p -106.31 -106.98 0.31 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.41 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.51 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -74.09 107.03 6.04 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.366 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 108' ' ' GLY . 13.9 m -43.88 -25.05 0.17 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.885 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -84.64 -22.92 29.73 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.358 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.55 -62.74 1.6 Allowed Glycine 0 CA--C 1.528 0.877 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.9 m -78.36 -69.8 0.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.648 0.261 . . . . 0.0 111.47 -179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.32 -30.82 69.75 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.52 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -64.33 -45.79 92.45 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 179.521 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -66.66 -22.29 66.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.864 0.364 . . . . 0.0 110.106 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.407 HG13 ' HG ' ' A' ' 122' ' ' LEU . 59.8 t -83.19 -63.33 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.025 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.41 ' HE ' ' HA2' ' A' ' 108' ' ' GLY . 0.2 OUTLIER -52.8 -29.96 30.52 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.39 -179.727 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -72.21 -58.73 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.981 0.42 . . . . 0.0 110.07 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.401 ' CZ ' HG11 ' A' ' 79' ' ' VAL . 16.5 t80 -45.92 -24.0 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.969 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.433 ' C ' ' N ' ' A' ' 116' ' ' GLU . 5.0 mp -76.77 -57.03 4.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.183 179.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -46.94 -19.99 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.068 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.433 ' N ' ' C ' ' A' ' 114' ' ' LEU . 2.8 mt-10 -104.72 -45.9 4.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.035 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.664 ' O ' HG22 ' A' ' 120' ' ' VAL . 7.9 m120 -120.76 55.13 1.04 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.761 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.87 1.16 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.805 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.48 ' CE1' ' CG1' ' A' ' 120' ' ' VAL . 8.2 p80 -80.3 11.14 3.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.613 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 117' ' ' ASN . 17.2 m -131.9 143.08 41.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.562 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -92.61 148.65 21.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.258 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.453 HD11 ' CD2' ' A' ' 94' ' ' TRP . 0.1 OUTLIER -132.53 112.53 12.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.637 -179.81 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 30.6 mtm180 -110.58 125.43 53.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.081 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.426 HG23 HD11 ' A' ' 96' ' ' ILE . 35.2 mm -105.29 117.43 50.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.147 -179.423 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.519 ' CD1' ' OE1' ' A' ' 157' ' ' GLU . 70.5 m-85 -116.78 98.02 6.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.122 179.294 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -83.18 107.48 15.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.492 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.619 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -76.29 -39.37 54.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.405 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -139.89 146.77 39.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.351 179.759 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.518 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 0.9 OUTLIER -104.03 130.44 54.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.907 0.384 . . . . 0.0 110.695 -179.723 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 4.6 m-85 -172.13 122.09 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.461 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -149.96 -173.93 4.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.561 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -106.53 -19.55 13.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.587 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.11 162.34 48.53 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.464 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.502 ' O ' ' N ' ' A' ' 136' ' ' TYR . 41.0 Cg_endo -70.02 -7.12 20.36 Favored 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.625 2.217 . . . . 0.0 112.204 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.2 mt -42.97 -19.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.647 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.525 ' CD1' ' N ' ' A' ' 137' ' ' LYS . 0.0 OUTLIER -54.16 -38.97 66.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.615 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.525 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 30.9 tttp -58.85 -57.73 11.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.436 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -48.34 -32.63 7.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.366 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 136' ' ' TYR . . . -62.52 -52.09 64.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.391 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.5 mp -51.77 -36.7 48.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.403 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.491 ' OE1' ' NH1' ' A' ' 144' ' ' ARG . 49.1 mm-40 -78.59 -36.14 44.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.535 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.482 ' SD ' ' O ' ' A' ' 103' ' ' SER . 0.7 OUTLIER -70.68 -22.69 62.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.573 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 9.2 mt -81.3 -60.81 2.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.767 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.491 ' NH1' ' OE1' ' A' ' 141' ' ' GLN . 0.7 OUTLIER -56.06 -28.06 55.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.693 -179.879 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.78 -37.18 81.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.612 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.76 -19.43 52.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 104.04 13.12 27.96 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -78.49 155.15 29.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.759 0.314 . . . . 0.0 110.611 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -87.45 131.08 34.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.538 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 21.8 t -131.39 116.61 32.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.605 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -153.38 159.75 42.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.57 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 152' ' ' ILE . 1.9 tp -90.38 132.57 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.475 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.542 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 6.4 ttt -49.1 121.24 4.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.52 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 81.3 p -99.98 172.65 7.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -58.21 -43.1 87.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.639 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -47.23 81.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.481 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.519 ' OE1' ' CD1' ' A' ' 125' ' ' PHE . 35.8 mt-10 -63.15 -31.19 72.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.727 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.542 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 1.4 m-85 -65.58 -47.32 76.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.543 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -55.59 -49.77 71.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.575 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.593 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -68.45 -57.39 5.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.611 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.593 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 12.3 t -53.76 -23.69 12.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 162' ' ' TRP . . . . . 0.622 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.2 t-105 -72.9 -69.16 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.042 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 163' ' ' ASP . . . . . 0.622 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -63.68 -14.28 50.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 -179.466 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 96.9 m -85.68 -24.11 27.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.311 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -121.05 10.83 10.84 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.264 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.868 ' O ' HD12 ' A' ' 12' ' ' LEU . 89.9 t -129.32 132.61 66.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.98 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -69.63 37.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.946 0.403 . . . . 0.0 110.42 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.549 ' H ' ' C ' ' A' ' 166' ' ' VAL . 5.7 p-80 -44.24 -45.63 8.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.109 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 169' ' ' GLN . . . . . 0.481 ' N ' ' CG ' ' A' ' 168' ' ' HIS . 97.1 mt-30 40.51 31.7 0.12 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 132.71 14.78 1.46 Allowed Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.457 ' H ' ' HB2' ' A' ' 168' ' ' HIS . 4.6 m -123.78 80.9 55.69 Favored Pre-proline 0 CA--C 1.53 0.175 0 CA-C-O 120.739 0.304 . . . . 0.0 110.46 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -51.32 162.63 1.27 Allowed 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.551 2.167 . . . . 0.0 112.25 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -57.4 150.33 18.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.597 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -113.62 85.08 8.76 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.647 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -78.27 131.22 10.59 Favored 'Trans proline' 0 N--CA 1.488 1.202 0 C-N-CA 122.084 1.856 . . . . 0.0 112.091 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 176' ' ' TRP . . . . . 0.545 ' NE1' ' CD1' ' A' ' 179' ' ' LEU . 15.1 p90 -98.64 159.0 15.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.529 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.68 109.5 2.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.546 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 145.03 -18.18 1.95 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 179' ' ' LEU . . . . . 0.545 ' CD1' ' NE1' ' A' ' 176' ' ' TRP . 1.8 mp -52.27 -38.12 57.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.783 0.325 . . . . 0.0 110.535 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.09 -46.65 80.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.634 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -64.65 -45.95 84.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.592 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -61.09 -61.04 2.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.608 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 60.0 p -44.81 -37.56 3.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.652 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -61.23 -59.51 5.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.549 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -45.82 -53.11 10.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.549 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.01 -58.89 6.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.516 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 1.6 m -44.57 -44.02 8.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.58 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -55.68 -49.81 63.79 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -50.52 -49.92 54.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.754 0.311 . . . . 0.0 110.541 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.23 -46.66 89.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.583 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 2.6 ttm105 -61.12 -33.01 72.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.66 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -66.84 -37.18 83.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.596 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 193' ' ' ILE . . . . . 0.446 HD11 ' OH ' ' A' ' 136' ' ' TYR . 3.5 mm -66.57 -61.32 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.596 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.426 ' C ' ' H ' ' A' ' 196' ' ' ASN . 8.0 mp -56.81 -13.32 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.635 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.98 -3.67 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.644 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 196' ' ' ASN . . . . . 0.426 ' H ' ' C ' ' A' ' 194' ' ' LEU . 4.2 t-20 73.23 -53.63 0.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.65 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -135.11 115.73 13.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.53 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 169.71 -50.7 0.21 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 199' ' ' ASN . . . . . 0.474 ' O ' ' NH2' ' A' ' 144' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.957 -1.02 . . . . 0.0 110.624 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mtt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 54.22 40.38 31.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.589 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.99 -49.15 25.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.593 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.4 t -177.07 68.43 0.22 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.576 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -49.05 115.9 1.94 Allowed 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.791 2.327 . . . . 0.0 112.167 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -170.51 89.35 0.15 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.629 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.1 m -103.35 -53.16 2.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.576 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.438 ' H ' ' HD3' ' A' ' 9' ' ' PRO . . . 104.1 71.43 0.85 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.438 ' HD3' ' H ' ' A' ' 8' ' ' GLY . 51.0 Cg_exo -50.78 109.13 0.27 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.777 2.318 . . . . 0.0 112.199 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.53 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -135.61 90.04 2.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.391 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.509 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 12.5 t-160 48.4 91.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.579 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.842 HD22 ' N ' ' A' ' 12' ' ' LEU . 1.0 OUTLIER -108.76 173.47 6.3 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.136 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -73.92 164.48 26.58 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -76.56 143.96 72.94 Favored Pre-proline 0 CA--C 1.534 0.365 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.418 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -39.96 -55.51 1.72 Allowed 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.205 1.937 . . . . 0.0 112.237 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -49.42 77.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.041 -179.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 mm -48.84 -56.49 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.659 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.408 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 32.3 t80 -49.59 -60.13 3.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.706 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.52 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -57.06 -27.09 61.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.795 -179.83 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.58 -61.49 2.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.597 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.614 ' ND2' ' CD2' ' A' ' 22' ' ' PHE . 3.3 p-10 -70.75 -23.49 62.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.61 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.614 ' CD2' ' ND2' ' A' ' 21' ' ' ASN . 18.3 m-85 -100.44 13.19 35.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.541 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 19' ' ' THR . 44.7 t-20 -61.49 101.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.626 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.524 HD21 ' HE1' ' A' ' 176' ' ' TRP . 12.2 t-20 -43.25 115.47 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.603 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.63 52.75 0.79 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.426 ' C ' HD12 ' A' ' 26' ' ' ILE . 1.1 pp -97.35 -175.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.707 0.289 . . . . 0.0 110.496 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.454 ' H ' ' NE ' ' A' ' 28' ' ' ARG . . . 167.43 53.76 0.03 OUTLIER Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.735 ' H ' ' HE ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -158.33 140.41 14.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.859 0.362 . . . . 0.0 110.644 179.758 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -49.93 98.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.761 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -178.61 22.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.077 0.465 . . . . 0.0 110.406 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.668 HG22 ' CD2' ' A' ' 98' ' ' TRP . 1.0 OUTLIER -46.63 162.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.784 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -125.93 149.3 48.84 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.686 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.716 HD13 ' C ' ' A' ' 33' ' ' LEU . 2.6 tm? -140.34 122.97 16.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.122 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.35 121.08 40.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.828 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.547 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 17.5 p90 -112.92 134.52 54.39 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.038 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -122.15 158.14 30.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.093 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.676 HG21 ' CE1' ' A' ' 51' ' ' HIS . 54.9 t -128.7 121.41 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.652 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.461 ' OE2' ' N ' ' A' ' 38' ' ' GLU . 1.5 mp0 -131.34 127.93 38.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.729 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.36 132.32 35.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.404 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 mt -98.52 119.94 38.09 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.548 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.63 110.48 9.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.457 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.416 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 0.8 OUTLIER 61.23 37.51 17.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.468 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.6 -1.07 68.02 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.15 102.3 14.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 110.523 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.429 ' O ' ' OG ' ' A' ' 45' ' ' SER . 11.9 p -83.13 103.37 12.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.557 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.1 m -96.68 119.18 44.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.516 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -76.83 138.13 39.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.488 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.9 mmt -79.46 158.65 27.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.667 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -93.55 -50.27 5.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.564 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -117.17 78.23 1.2 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.487 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.676 ' CE1' HG21 ' A' ' 37' ' ' VAL . 52.9 t-80 -169.93 30.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.687 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.53 ' NH2' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -131.57 170.77 14.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.318 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -169.32 -178.56 40.68 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 20.1 p90 -156.39 140.41 16.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.69 0.281 . . . . 0.0 110.402 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 mp -135.52 178.17 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.565 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.428 ' O ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -127.15 156.18 42.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.467 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.44 ' N ' ' HB2' ' A' ' 71' ' ' ALA . 1.1 t30 -47.61 176.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.484 HE22 ' NE ' ' A' ' 74' ' ' ARG . 1.4 mt-30 -141.32 3.26 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.613 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.97 99.77 0.52 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.524 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.2 ttpp -136.62 -74.42 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.64 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.519 ' O ' ' N ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -178.75 151.08 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.471 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.733 ' C ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -46.6 -10.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.453 -179.609 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 61' ' ' ASN . 1.3 tp -59.71 -36.31 76.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.864 0.364 . . . . 0.0 110.431 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 6.3 p -92.66 14.36 17.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.58 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.2 8.35 61.76 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -136.94 109.62 7.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.34 . . . . 0.0 110.501 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.417 ' O ' ' O ' ' A' ' 68' ' ' GLY . 31.4 t80 -100.02 123.63 44.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.678 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 67' ' ' TYR . . . 44.08 96.75 0.01 OUTLIER Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -138.25 145.51 41.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 110.529 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.415 ' CE1' ' OE2' ' A' ' 72' ' ' GLU . 2.1 t-80 -92.74 139.12 30.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.645 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.44 ' HB2' ' N ' ' A' ' 57' ' ' ASN . . . -55.22 -34.56 64.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.234 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.415 ' OE2' ' CE1' ' A' ' 70' ' ' HIS . 17.6 mt-10 -60.04 -49.09 79.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.479 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.403 HD11 ' HG3' ' A' ' 109' ' ' GLU . 5.9 mp -49.59 -50.43 42.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.591 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.484 ' NE ' HE22 ' A' ' 58' ' ' GLN . 2.0 mmt180 -53.25 -43.56 67.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.512 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.547 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 10.3 t80 -65.49 -49.53 68.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.624 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.2 tp -64.05 -19.99 65.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.767 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.95 -32.47 59.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.025 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.654 ' C ' HD12 ' A' ' 78' ' ' LEU . 3.9 pp -101.44 8.04 42.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.759 0.314 . . . . 0.0 110.811 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.575 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -63.32 -41.64 69.59 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.008 -179.845 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 39.6 Cg_exo -57.66 -17.44 28.77 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.087 1.858 . . . . 0.0 111.932 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.42 -9.08 58.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.619 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.9 mt -89.75 -2.86 58.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.54 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 41.5 45.02 2.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.725 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.3 mt -41.46 155.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.628 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 87' ' ' ALA . 2.4 m-20 -117.17 84.96 17.91 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.457 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -51.3 -9.38 0.29 Allowed 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.464 2.11 . . . . 0.0 112.189 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.415 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -49.21 -35.46 17.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.375 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -125.04 -167.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.217 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.681 ' H ' HD12 ' A' ' 89' ' ' ILE . 0.2 OUTLIER -104.73 155.1 6.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.167 0.508 . . . . 0.0 110.5 179.779 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -140.47 179.32 6.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.79 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -143.98 109.65 5.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.498 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -92.44 106.07 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.011 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.36 115.69 26.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.655 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.449 ' CH2' HG22 ' A' ' 110' ' ' VAL . 13.7 m0 -100.19 132.19 45.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.21 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -124.91 102.65 7.64 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -108.05 131.25 58.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.651 -178.33 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.642 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 7.0 p -81.87 -26.04 34.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.767 178.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.668 ' CD2' HG22 ' A' ' 31' ' ' THR . 11.4 m95 -111.13 153.51 25.62 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.062 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.09 129.87 77.04 Favored Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.323 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -42.35 153.84 0.13 Allowed 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.899 1.733 . . . . 0.0 112.426 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.646 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 2.7 p -96.66 -147.89 0.3 Allowed 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.555 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.646 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.2 OUTLIER -33.38 106.01 0.04 OUTLIER 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.263 0.554 . . . . 0.0 110.215 179.545 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.899 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 47.9 m -37.48 -23.86 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.237 -179.592 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.545 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.1 OUTLIER -82.64 -30.94 29.04 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -178.826 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -71.9 -63.77 2.9 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 120.532 -0.842 . . . . 0.0 111.786 -179.316 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.31 -69.25 0.59 Allowed 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.751 -0.379 . . . . 0.0 111.071 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.899 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -45.88 -41.57 11.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.816 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.19 -60.01 9.05 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.403 ' HG3' HD11 ' A' ' 73' ' ' LEU . 36.4 mm-40 -50.91 -39.56 54.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.943 0.402 . . . . 0.0 110.25 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.449 HG22 ' CH2' ' A' ' 94' ' ' TRP . 38.7 t -66.71 -48.19 80.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.36 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 55.1 ttt85 -49.71 -52.63 29.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.359 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.08 -57.84 7.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.486 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -53.17 -34.82 58.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.63 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -69.83 -58.59 3.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.457 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -54.22 -14.18 1.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.598 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -100.25 -50.29 4.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.644 ' O ' HG22 ' A' ' 120' ' ' VAL . 85.7 m-20 -111.51 43.47 1.51 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.467 ' C ' ' H ' ' A' ' 120' ' ' VAL . 0.0 OUTLIER -49.86 -10.45 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.744 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.529 ' ND1' ' O ' ' A' ' 119' ' ' HIS . 12.0 p80 -76.11 19.66 0.22 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.902 0.382 . . . . 0.0 110.381 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.644 HG22 ' O ' ' A' ' 117' ' ' ASN . 4.9 m -135.75 144.72 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.464 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -91.59 123.32 34.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.447 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.523 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -102.93 115.04 29.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.571 -179.649 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.523 ' N ' HD13 ' A' ' 122' ' ' LEU . 12.1 mtp180 -117.79 118.36 31.84 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.293 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.64 HD12 HD21 ' A' ' 143' ' ' LEU . 18.6 mt -106.2 131.19 56.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.002 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.522 ' CE1' ' OE2' ' A' ' 157' ' ' GLU . 81.5 m-85 -127.03 104.78 8.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.611 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -84.17 107.72 16.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.372 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.642 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -77.56 -44.75 27.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.464 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.481 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -132.36 150.09 52.22 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.505 179.79 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.522 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 5.6 mt -112.29 118.73 58.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.694 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.522 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 8.7 m-85 -155.02 117.23 4.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.632 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.427 ' OD2' ' O ' ' A' ' 130' ' ' TYR . 0.3 OUTLIER -178.82 154.83 0.75 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.376 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -97.63 10.18 40.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.568 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.481 ' C ' ' H ' ' A' ' 135' ' ' LEU . 30.6 m-20 -122.79 80.04 49.18 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.552 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 136' ' ' TYR . 51.8 Cg_exo -49.3 -6.66 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.562 2.175 . . . . 0.0 112.433 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.481 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.9 mt -47.76 -13.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.468 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.472 ' N ' ' O ' ' A' ' 134' ' ' PRO . 0.1 OUTLIER -42.37 -26.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.613 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 135' ' ' LEU . 8.9 tttt -62.05 -62.21 1.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.469 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -53.49 -27.73 26.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.32 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.782 ' HB2' ' OG ' ' A' ' 103' ' ' SER . . . -69.66 -42.79 73.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.419 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.975 HD11 HD21 ' A' ' 190' ' ' LEU . 0.9 OUTLIER -58.82 -37.09 75.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.316 179.843 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -80.03 -56.69 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.557 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.9 ttp -54.36 -29.59 48.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.664 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.64 HD21 HD12 ' A' ' 124' ' ' ILE . 53.6 tp -81.9 -42.19 19.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.337 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.4 -30.74 41.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.5 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -76.64 2.72 13.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.572 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -99.57 -22.39 15.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 104.83 -1.18 41.71 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -83.1 134.08 35.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.71 0.291 . . . . 0.0 110.627 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -83.98 140.76 31.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.591 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 59.0 t -131.62 112.71 21.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.558 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.4 t -146.11 162.08 38.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.631 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.656 ' CD1' HD12 ' A' ' 190' ' ' LEU . 1.6 mp -79.78 133.81 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.498 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.583 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 6.4 ttm -50.36 102.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.52 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 26.2 p -73.72 160.68 31.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.538 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.497 ' CD1' ' O ' ' A' ' 155' ' ' TYR . 1.4 t80 -51.33 -36.93 45.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.578 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.22 -56.21 16.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.503 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.522 ' OE2' ' CE1' ' A' ' 125' ' ' PHE . 2.1 mm-40 -57.15 -26.59 60.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.689 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.583 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 0.5 OUTLIER -64.58 -54.16 36.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.504 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -54.93 -42.62 72.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.687 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.579 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -66.7 -56.61 9.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.687 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.579 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 3.1 t -57.32 -23.72 50.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.64 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 162' ' ' TRP . . . . . 0.619 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.1 t-105 -73.26 -69.23 0.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.832 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 163' ' ' ASP . . . . . 0.619 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 2.8 t70 -63.04 -14.24 45.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.419 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 60.6 m -84.86 -26.72 27.2 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.167 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -121.74 18.84 11.1 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.706 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.531 ' C ' ' H ' ' A' ' 168' ' ' HIS . 73.0 t -133.77 154.1 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 121.168 0.509 . . . . 0.0 111.549 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 167' ' ' ASP . . . . . 0.457 ' N ' HG12 ' A' ' 166' ' ' VAL . 0.4 OUTLIER -75.25 30.97 0.1 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.727 179.594 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.712 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -38.82 -53.71 1.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.13 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 169' ' ' GLN . . . . . 0.615 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 4.5 mm-40 42.53 14.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.668 179.073 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 170' ' ' GLY . . . . . 0.712 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 141.7 8.4 0.69 Allowed Glycine 0 CA--C 1.529 0.944 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.772 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.622 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 1.7 m -117.5 84.29 18.47 Favored Pre-proline 0 CA--C 1.532 0.256 0 CA-C-N 116.713 0.256 . . . . 0.0 110.321 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -52.0 165.57 0.83 Allowed 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.486 2.124 . . . . 0.0 112.377 -179.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -65.12 141.49 58.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.309 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -115.57 85.1 13.17 Favored Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.966 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -50.11 154.88 5.02 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.189 1.926 . . . . 0.0 111.924 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 176' ' ' TRP . . . . . 0.524 ' HE1' HD21 ' A' ' 24' ' ' ASN . 1.0 OUTLIER -102.07 131.51 48.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.637 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -43.64 96.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.501 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 176' ' ' TRP . . . 140.68 -18.58 2.79 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -42.31 -50.09 5.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.757 0.313 . . . . 0.0 110.528 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 180' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 180' ' ' ASP . 3.1 m-20 -47.93 -52.24 20.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.534 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.35 -57.9 10.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.525 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -47.29 -38.92 13.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.408 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 183' ' ' SER . . . . . 0.428 ' O ' ' OG ' ' A' ' 187' ' ' SER . 0.4 OUTLIER -61.92 -43.93 97.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.53 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -61.22 -35.2 76.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.616 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -60.65 -65.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.587 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 27.2 mt -64.35 -59.65 4.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.594 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 187' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 183' ' ' SER . 55.9 p -45.85 -40.51 9.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.375 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -67.04 -35.07 88.63 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -48.74 77.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.749 0.309 . . . . 0.0 110.414 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.975 HD21 HD11 ' A' ' 140' ' ' LEU . 0.5 OUTLIER -65.31 -46.28 80.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.546 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -60.56 -16.3 36.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.545 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -96.36 -52.91 3.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.6 tp -54.72 -27.49 18.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.699 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.407 ' O ' ' O ' ' A' ' 195' ' ' GLN . 1.4 mt -96.8 7.26 47.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.62 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 195' ' ' GLN . . . . . 0.407 ' O ' ' O ' ' A' ' 194' ' ' LEU . 3.0 mp0 54.05 105.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.54 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -72.21 166.74 21.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.571 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -149.36 103.4 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.502 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 74.63 21.3 78.88 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.554 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 mmt . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 2.4 mt-10 -73.94 116.09 14.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.603 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 2' ' ' GLU . . . 177.31 81.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.558 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.7 m -162.68 61.08 1.09 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.636 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -74.4 -48.77 0.19 Allowed 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.804 2.336 . . . . 0.0 112.149 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.47 124.79 25.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.628 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.2 p -96.59 -55.57 2.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.506 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.61 71.23 0.61 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -48.9 103.53 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.716 2.278 . . . . 0.0 112.026 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -73.1 -169.26 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.587 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 -132.95 93.93 3.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.456 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.842 HD22 ' N ' ' A' ' 12' ' ' LEU . 1.0 OUTLIER -107.4 173.33 6.37 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.135 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 64.6 mtm -74.9 162.35 28.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.855 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -75.22 142.93 76.03 Favored Pre-proline 0 CA--C 1.536 0.422 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.391 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.431 ' O ' ' OG1' ' A' ' 19' ' ' THR . 71.1 Cg_exo -40.69 -55.46 1.97 Allowed 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 122.169 1.913 . . . . 0.0 112.205 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -59.98 -51.85 67.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.123 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.571 ' O ' ' ND2' ' A' ' 21' ' ' ASN . 1.8 mm -48.66 -38.47 9.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.654 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -73.48 -60.9 2.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.628 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -46.22 -44.77 16.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.52 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -61.4 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.563 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.571 ' ND2' ' O ' ' A' ' 17' ' ' ILE . 57.6 m-80 -73.99 -9.61 58.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.598 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -132.6 27.56 4.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.573 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 19' ' ' THR . 0.8 OUTLIER -86.56 97.01 10.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.493 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 25' ' ' GLY . 23.7 m-20 46.73 -118.0 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.575 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 24' ' ' ASN . . . -57.48 -154.5 0.01 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.453 ' C ' HD12 ' A' ' 26' ' ' ILE . 1.2 pp -140.61 -174.91 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.746 0.308 . . . . 0.0 110.595 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -105.71 -117.06 4.26 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.517 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 1.3 tpm_? -154.45 137.46 15.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.747 0.308 . . . . 0.0 110.545 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 28' ' ' ARG . 56.7 p-80 40.7 59.29 2.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.597 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -156.26 21.21 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.485 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.836 HG22 ' CD2' ' A' ' 98' ' ' TRP . 7.2 p -46.79 138.02 6.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.962 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.464 ' CE1' ' OD1' ' A' ' 21' ' ' ASN . 1.4 m-85 -110.2 145.85 36.57 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.656 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.655 ' C ' HD23 ' A' ' 33' ' ' LEU . 6.2 tt -139.85 120.06 13.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.604 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -111.12 107.24 16.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.402 179.708 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.429 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 30.4 p90 -97.18 135.13 39.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.779 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.697 ' OE1' HG21 ' A' ' 164' ' ' THR . 1.9 tt0 -122.99 146.42 47.64 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.382 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.703 HG21 ' ND1' ' A' ' 51' ' ' HIS . 34.6 t -121.78 129.72 75.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.761 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -143.81 137.1 27.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.461 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.1 ptt85 -89.71 140.64 29.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.602 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.35 126.44 52.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.459 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.62 105.22 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.623 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.479 ' C ' ' H ' ' A' ' 44' ' ' THR . 26.2 t-20 54.39 51.65 13.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.555 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.07 -18.97 1.35 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.479 ' H ' ' C ' ' A' ' 42' ' ' ASN . 1.7 m -75.08 109.05 8.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.803 0.335 . . . . 0.0 110.573 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.5 m -99.3 110.69 23.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.602 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.5 t -110.19 110.67 33.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.521 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 148.91 39.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.411 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 28.0 mtm -104.03 141.28 36.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.499 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -81.25 -50.36 9.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.662 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.68 66.99 8.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.325 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.703 ' ND1' HG21 ' A' ' 37' ' ' VAL . 7.8 t-80 -170.46 -2.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.588 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.426 ' H ' ' H ' ' A' ' 51' ' ' HIS . 35.3 mtm180 -100.67 156.44 17.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.644 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.429 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . -171.53 175.03 45.13 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 14.8 p90 -147.29 141.98 26.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.662 0.267 . . . . 0.0 110.591 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 mt -135.62 175.28 9.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.581 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.56 ' C ' ' HB2' ' A' ' 71' ' ' ALA . 1.6 p80 -137.76 152.59 49.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.462 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.524 ' N ' ' HB2' ' A' ' 71' ' ' ALA . 27.4 p-10 -63.41 -178.51 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.719 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' ' 57' ' ' ASN . 1.6 mm100 49.84 177.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.71 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -162.12 -141.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.476 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -120.47 32.45 6.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.583 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -104.96 79.88 1.56 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.449 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.467 HD23 ' N ' ' A' ' 62' ' ' LEU . 1.7 mt -85.02 6.58 24.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.666 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.512 HD12 ' N ' ' A' ' 63' ' ' LEU . 10.4 mp -69.43 -19.97 63.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.508 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.2 m -107.96 -9.8 15.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.578 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.499 ' O ' ' CG ' ' A' ' 66' ' ' PHE . . . 103.74 50.03 1.05 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.499 ' CG ' ' O ' ' A' ' 65' ' ' GLY . 28.4 p90 40.29 29.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 0.0 110.633 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.496 ' CG ' ' O ' ' A' ' 67' ' ' TYR . 12.2 p90 -40.16 117.78 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.693 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.73 124.93 35.35 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -137.76 106.6 5.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.347 . . . . 0.0 110.514 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.485 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -53.47 138.33 33.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.654 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.56 ' HB2' ' C ' ' A' ' 56' ' ' HIS . . . -75.62 -20.92 58.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.679 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -42.46 -49.55 5.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.1 tp -76.24 -39.55 54.21 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -51.31 -30.2 17.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.495 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -84.19 -47.19 11.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.602 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 76' ' ' LEU . 24.1 tp -63.47 -20.26 65.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.476 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -73.17 -34.36 65.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.654 ' C ' HD12 ' A' ' 78' ' ' LEU . 3.8 pp -100.13 8.04 44.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.817 0.341 . . . . 0.0 110.877 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.587 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -63.59 -41.38 65.63 Favored Pre-proline 0 CA--C 1.532 0.286 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.875 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 23.1 Cg_exo -60.99 -17.61 52.68 Favored 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 122.239 1.959 . . . . 0.0 112.092 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.9 -12.07 61.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.803 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.8 mt -87.37 5.9 36.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.675 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 41.92 45.73 3.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.515 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.2 mt -40.01 156.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.669 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 0.6 OUTLIER -115.65 85.05 13.3 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.58 -179.922 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -48.78 -13.18 0.25 Allowed 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.297 1.998 . . . . 0.0 112.233 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -42.36 -74.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.443 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -90.64 -170.51 2.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.423 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -91.22 158.95 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.454 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -137.17 173.84 11.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.631 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -149.55 110.34 4.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.703 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.8 t -97.23 113.99 33.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.31 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -98.13 118.98 35.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -101.45 131.99 47.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.533 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -126.27 103.05 7.46 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.77 150.0 15.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.971 -177.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.657 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 1.0 OUTLIER -97.01 -21.23 17.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.702 178.718 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.836 ' CD2' HG22 ' A' ' 31' ' ' THR . 18.8 m95 -111.98 153.3 27.0 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.405 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -78.86 160.52 71.46 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.53 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' A' ' 99' ' ' SER . 59.4 Cg_exo -42.16 171.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.497 2.131 . . . . 0.0 112.289 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.44 -75.1 0.5 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.218 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -109.48 98.42 7.81 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.242 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.516 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 12.6 t -44.72 -28.48 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.945 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -85.28 -21.79 28.85 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.531 -179.487 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -84.82 -62.35 1.69 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -78.85 -66.85 0.81 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.728 0.299 . . . . 0.0 111.065 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -60.49 -33.38 72.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.03 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -66.65 -58.17 8.87 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -57.83 -35.47 70.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.885 0.374 . . . . 0.0 110.357 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.9 t -74.73 -34.0 32.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.428 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 67.7 ttt-85 -60.86 -59.5 5.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.081 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.78 -42.22 75.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.131 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -54.13 -39.83 66.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.131 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.422 ' C ' ' N ' ' A' ' 116' ' ' GLU . 1.4 mp -76.09 -53.9 7.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.336 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -46.64 -20.77 0.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.308 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 114' ' ' LEU . 50.8 mt-10 -110.44 -18.88 13.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.088 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.504 ' O ' HG12 ' A' ' 120' ' ' VAL . 3.2 m120 -134.41 46.97 2.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.793 0.33 . . . . 0.0 111.059 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.9 t -59.32 -1.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.75 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.527 ' ND1' ' O ' ' A' ' 119' ' ' HIS . 2.4 p80 -76.33 8.66 3.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.504 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.504 HG12 ' O ' ' A' ' 117' ' ' ASN . 8.1 p -131.25 142.14 44.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.653 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.57 136.31 33.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.284 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.491 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -116.8 112.49 21.2 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.806 -179.626 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.491 ' N ' HD13 ' A' ' 122' ' ' LEU . 60.3 mtt180 -112.41 117.76 33.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.968 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 6.1 mt -105.59 128.48 59.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.202 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -126.42 118.23 24.56 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.769 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -101.06 113.57 26.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.279 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.657 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -81.65 -42.95 19.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.819 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -132.05 143.85 50.34 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.434 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.1 mt -103.78 124.44 58.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.57 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -167.58 119.51 0.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.347 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -149.77 -175.16 4.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.515 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -99.83 -57.43 2.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.516 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.57 162.72 19.36 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.387 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.51 -2.92 11.49 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.588 2.192 . . . . 0.0 112.091 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 tp -45.52 -27.7 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.66 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.494 ' CG ' ' N ' ' A' ' 137' ' ' LYS . 0.0 OUTLIER -42.66 -44.03 4.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.5 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.494 ' N ' ' CG ' ' A' ' 136' ' ' TYR . 67.6 tttt -57.21 -55.32 36.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.524 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -45.93 -36.56 5.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.463 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 136' ' ' TYR . . . -61.59 -57.34 12.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.55 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.6 mp -46.17 -34.27 4.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.514 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -77.97 -57.8 3.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.714 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.49 ' SD ' ' OG ' ' A' ' 103' ' ' SER . 2.5 ttm -44.49 -26.83 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.385 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 146' ' ' ALA . 10.2 mt -81.34 -48.88 11.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.468 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -44.98 -35.73 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.516 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.14 -24.52 47.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.542 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -78.99 -24.01 44.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.469 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 88.38 22.34 41.14 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -85.83 160.68 19.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.709 0.29 . . . . 0.0 110.603 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.5 125.93 39.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.493 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 2.2 t -132.14 115.4 26.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.594 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 5.6 p -149.75 161.88 41.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.543 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.521 HG23 ' O ' ' A' ' 152' ' ' ILE . 0.9 OUTLIER -84.39 126.69 40.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.533 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.59 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 3.3 ttt -41.6 108.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.601 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.28 174.2 7.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.592 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -53.48 -49.23 67.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.65 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -55.27 -60.55 3.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.744 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.408 ' CD ' ' N ' ' A' ' 157' ' ' GLU . 3.9 mp0 -54.53 -28.84 48.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.794 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.59 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 0.3 OUTLIER -67.83 -63.9 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.673 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 11.6 ttpp -42.62 -46.16 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.993 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.487 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.2 OUTLIER -67.78 -55.2 13.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.905 -179.681 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.487 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 10.9 t -56.21 -23.72 37.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.957 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 162' ' ' TRP . . . . . 0.634 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 4.5 t-105 -72.52 -69.72 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.913 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 163' ' ' ASP . . . . . 0.634 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 1.1 p30 -63.51 -14.23 48.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.274 -179.25 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.697 HG21 ' OE1' ' A' ' 36' ' ' GLU . 99.5 m -84.82 -25.75 27.91 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.22 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -121.56 18.77 11.25 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.594 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.538 ' C ' ' H ' ' A' ' 168' ' ' HIS . 58.8 t -134.44 154.09 36.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 121.06 0.457 . . . . 0.0 111.248 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 167' ' ' ASP . . . . . 0.432 ' N ' HG12 ' A' ' 166' ' ' VAL . 0.6 OUTLIER -75.05 33.02 0.1 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.575 179.424 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.756 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -38.18 -53.21 1.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.11 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 169' ' ' GLN . . . . . 0.629 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 42.8 mm-40 39.03 19.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.367 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 170' ' ' GLY . . . . . 0.756 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 140.35 0.08 1.91 Allowed Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.618 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 1.2 m -114.12 85.98 10.98 Favored Pre-proline 0 CA--C 1.531 0.222 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -77.47 163.09 30.1 Favored 'Trans proline' 0 C--N 1.314 -1.283 0 C-N-CA 122.061 1.841 . . . . 0.0 112.655 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -51.56 142.56 13.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.734 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -120.84 84.1 37.66 Favored Pre-proline 0 CA--C 1.532 0.251 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.435 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -48.63 131.28 23.78 Favored 'Trans proline' 0 C--N 1.311 -1.435 0 C-N-CA 122.273 1.982 . . . . 0.0 112.147 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 1.3 p90 -98.25 178.15 5.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.509 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -80.84 101.13 9.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.517 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 139.11 -21.44 2.97 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.5 tt -42.26 -44.72 3.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.729 0.299 . . . . 0.0 110.505 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 180' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' A' ' 180' ' ' ASP . 0.6 OUTLIER -62.17 -54.02 47.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.567 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -53.35 -54.44 36.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.577 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -50.68 -46.66 58.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.549 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 12.1 t -62.15 -34.08 75.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.599 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -61.95 -34.72 76.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.612 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -74.11 -61.02 2.0 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.558 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 45.3 mt -56.27 -52.65 63.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.537 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 8.5 t -60.18 -46.47 89.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.635 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -47.22 -39.12 12.72 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 189' ' ' ARG . . . . . 0.419 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 0.4 OUTLIER -68.43 -60.03 2.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.797 0.332 . . . . 0.0 110.598 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.471 ' CD2' HD23 ' A' ' 194' ' ' LEU . 0.8 OUTLIER -49.03 -46.89 44.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.568 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -61.97 -36.45 81.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.609 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 192' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -55.06 -48.27 73.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.654 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 193' ' ' ILE . . . . . 0.503 ' N ' HD12 ' A' ' 193' ' ' ILE . 1.6 mp -72.87 -43.32 60.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.626 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 196' ' ' ASN . 1.6 mm? -64.61 -18.55 65.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.637 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 64.0 -68.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.843 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 196' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 194' ' ' LEU . 20.4 t-20 55.97 107.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.623 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -56.1 -74.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.613 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -172.34 112.45 0.44 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.466 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.407 ' O ' ' O ' ' A' ' 2' ' ' GLU . 2.7 mmt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 1' ' ' MET . 31.6 tt0 55.51 107.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.581 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -146.03 124.5 12.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.61 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.28 162.66 29.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.476 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -69.58 142.32 48.41 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.562 2.175 . . . . 0.0 112.08 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.51 -85.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.61 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.02 179.34 0.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.507 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -179.41 -65.7 0.07 OUTLIER Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 10' ' ' ARG . 57.7 Cg_endo -74.65 -51.97 0.12 Allowed 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.812 2.341 . . . . 0.0 112.196 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 9' ' ' PRO . 4.8 tmm_? 54.98 107.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.296 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -167.31 73.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.362 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.983 ' H ' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -98.82 173.44 6.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.524 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.59 ' SD ' ' CZ ' ' A' ' 54' ' ' PHE . 3.5 mpp? -74.81 167.34 22.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.756 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.67 144.69 80.78 Favored Pre-proline 0 CA--C 1.537 0.451 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.478 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.424 ' O ' ' OG1' ' A' ' 19' ' ' THR . 88.7 Cg_exo -41.49 -48.08 5.58 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 122.113 1.876 . . . . 0.0 112.13 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -45.62 74.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.117 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.9 mm -48.75 -33.58 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.813 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 35.9 t80 -82.5 -60.52 2.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 110.877 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -52.21 -25.66 9.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 -179.69 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.0 t -85.3 -46.93 10.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.66 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.598 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 24.2 t-20 -66.03 -26.44 67.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.666 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -110.19 22.0 16.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.684 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -61.72 102.97 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -43.2 118.57 1.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.609 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.35 76.91 1.01 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.404 ' O ' ' CZ ' ' A' ' 130' ' ' TYR . 1.8 pp -136.71 167.05 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.768 0.318 . . . . 0.0 110.469 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.4 ' H ' ' H ' ' A' ' 28' ' ' ARG . . . -158.51 -2.91 0.07 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 0.5 OUTLIER -172.9 120.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.589 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' A' ' 28' ' ' ARG . 3.8 m-70 -176.41 -89.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.625 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -175.17 102.14 0.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.296 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.73 HG22 ' CD2' ' A' ' 98' ' ' TRP . 1.6 p -46.56 159.94 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.048 0.451 . . . . 0.0 111.113 -179.52 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.598 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -130.58 146.99 52.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.264 179.847 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.587 ' C ' HD23 ' A' ' 33' ' ' LEU . 4.2 tt -136.29 109.19 7.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.665 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.476 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -104.25 112.36 25.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.006 179.499 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.477 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 41.6 p90 -105.61 145.85 30.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.197 -179.386 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.543 ' OE2' HG21 ' A' ' 164' ' ' THR . 3.5 mt-10 -139.29 130.73 27.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.374 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.722 HG11 ' CE1' ' A' ' 51' ' ' HIS . 17.4 t -98.14 135.79 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.979 0.419 . . . . 0.0 110.771 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -142.92 140.75 31.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.428 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.508 ' NH1' ' OD2' ' A' ' 41' ' ' ASP . 49.1 ttp85 -101.63 147.45 26.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.513 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mp -100.07 139.48 35.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.624 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.508 ' OD2' ' NH1' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -149.83 103.18 3.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.543 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.422 ' C ' ' H ' ' A' ' 44' ' ' THR . 3.4 t30 52.91 48.31 22.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.594 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.76 -16.76 3.04 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.422 ' H ' ' C ' ' A' ' 42' ' ' ASN . 1.3 m -84.23 106.94 16.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.87 0.366 . . . . 0.0 110.564 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.463 ' CB ' HH21 ' A' ' 91' ' ' ARG . 72.7 m -85.67 142.85 28.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.544 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 46' ' ' VAL . 20.4 m -136.28 117.52 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.64 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.32 150.38 24.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.38 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.69 156.7 22.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.662 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.92 -50.49 4.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.638 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -85.14 61.75 7.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.979 0.419 . . . . 0.0 110.189 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.722 ' CE1' HG11 ' A' ' 37' ' ' VAL . 5.1 t-80 -173.41 14.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.133 -179.575 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.36 170.99 14.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.614 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.477 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . 179.98 -160.34 25.31 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.59 ' CZ ' ' SD ' ' A' ' 13' ' ' MET . 6.9 p90 -149.35 152.29 35.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.761 0.315 . . . . 0.0 110.68 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.418 HD12 ' O ' ' A' ' 54' ' ' PHE . 1.2 mp -127.2 178.52 5.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.465 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -139.62 148.43 42.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.653 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.436 ' O ' ' O ' ' A' ' 58' ' ' GLN . 1.2 t-20 -48.71 154.51 0.68 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.644 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.436 ' O ' ' O ' ' A' ' 57' ' ' ASN . 23.1 pt20 35.9 -157.56 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.93 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -153.17 129.32 10.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.771 0.32 . . . . 0.0 110.719 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -65.65 77.04 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.517 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.481 ' C ' ' H ' ' A' ' 63' ' ' LEU . 55.8 m-80 -150.6 82.4 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.592 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.555 ' N ' HD12 ' A' ' 62' ' ' LEU . 7.6 mp -68.28 7.97 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.583 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.481 ' H ' ' C ' ' A' ' 61' ' ' ASN . 10.8 mp -69.53 -28.99 66.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.534 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.0 t -101.13 -16.54 17.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.54 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 66' ' ' PHE . . . 108.96 46.01 0.98 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.521 ' CE1' ' O ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 58.44 120.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.821 0.344 . . . . 0.0 110.715 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.521 ' O ' ' CE1' ' A' ' 66' ' ' PHE . 26.1 m-85 -83.41 149.57 26.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.493 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -132.93 69.31 0.54 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.4 ptt180 -137.9 142.62 40.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.861 0.362 . . . . 0.0 110.505 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -66.03 139.54 58.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.489 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.16 -25.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.402 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -63.33 -44.24 95.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.449 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.7 -59.96 3.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.046 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.5 ttp85 -53.19 -24.21 10.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.1 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -81.74 -39.43 24.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.356 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 tp -59.43 -23.57 62.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.08 0.467 . . . . 0.0 109.825 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.07 -16.52 57.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.3 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.473 HD23 ' O ' ' A' ' 78' ' ' LEU . 6.3 tt -92.29 -5.15 52.86 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.034 -179.175 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.502 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -54.33 -44.27 98.53 Favored Pre-proline 0 CA--C 1.534 0.354 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.556 -179.31 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 25.8 Cg_exo -59.57 -20.77 59.08 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 121.995 1.797 . . . . 0.0 111.964 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.434 ' C ' HD12 ' A' ' 82' ' ' LEU . 6.1 m -69.0 -9.08 50.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.588 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.454 ' CD1' ' N ' ' A' ' 82' ' ' LEU . 7.3 mp -100.58 -45.55 5.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.303 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.573 ' NE2' ' O ' ' A' ' 83' ' ' GLN . 0.0 OUTLIER 68.59 51.9 0.61 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.86 179.597 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 51.8 mt -68.56 101.92 1.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.437 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.544 ' OD1' ' NE2' ' A' ' 83' ' ' GLN . 0.3 OUTLIER -77.91 161.35 71.53 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.538 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 87' ' ' ALA . 52.1 Cg_endo -71.47 1.28 5.72 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.577 2.185 . . . . 0.0 112.12 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 86' ' ' PRO . . . -41.57 -93.92 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.547 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.571 ' H ' ' CD ' ' A' ' 88' ' ' GLN . 0.1 OUTLIER -104.73 -168.91 1.54 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.381 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.476 HG22 ' N ' ' A' ' 90' ' ' TYR . 3.2 mm -85.61 157.82 3.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.535 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.476 ' N ' HG22 ' A' ' 89' ' ' ILE . 18.1 m-85 -135.65 168.29 19.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.342 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.463 HH21 ' CB ' ' A' ' 45' ' ' SER . 0.5 OUTLIER -150.59 107.79 3.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.796 -179.839 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.432 ' O ' HD23 ' A' ' 122' ' ' LEU . 46.4 t -96.14 124.78 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.926 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.6 m -99.63 119.91 38.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.741 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.527 ' CD1' HD21 ' A' ' 122' ' ' LEU . 20.4 m0 -100.35 132.21 45.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.058 0.456 . . . . 0.0 110.677 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.432 ' CE2' ' SG ' ' A' ' 161' ' ' CYS . 62.7 m-85 -124.49 102.75 7.8 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.214 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -111.52 143.44 21.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.684 -178.145 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.636 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 1.6 p -91.63 -26.76 18.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.892 179.146 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.73 ' CD2' HG22 ' A' ' 31' ' ' THR . 16.5 m95 -111.79 151.0 29.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.123 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.511 ' CB ' HG23 ' A' ' 129' ' ' ILE . 37.8 m -83.57 150.61 60.19 Favored Pre-proline 0 CA--C 1.533 0.326 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.499 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' A' ' 99' ' ' SER . 66.5 Cg_exo -42.11 170.84 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.284 0 C-N-CA 122.244 1.963 . . . . 0.0 112.375 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.7 p -112.19 -46.56 3.18 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.275 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' A' ' 105' ' ' GLY . 1.5 t80 -135.79 111.37 9.26 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.94 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.608 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 80.2 p -41.08 -36.64 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.977 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -85.25 -19.82 31.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.586 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.22 -63.23 1.59 Allowed Glycine 0 CA--C 1.525 0.695 0 C-N-CA 120.43 -0.89 . . . . 0.0 110.935 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.4 m -78.1 -68.97 0.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 0.0 110.697 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -54.85 -39.05 68.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.604 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -56.96 -60.3 9.29 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -51.15 -39.78 57.09 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.295 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.54 -37.14 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.489 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -59.6 -58.9 6.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.414 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.411 ' O ' ' OE1' ' A' ' 116' ' ' GLU . . . -49.59 -42.6 44.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.361 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -61.91 -31.16 71.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.651 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.0 mp -80.9 -52.05 7.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.725 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -51.86 -25.9 8.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.573 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' A' ' 112' ' ' ALA . 5.0 pt-20 -110.18 18.09 20.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.525 ' C ' ' H ' ' A' ' 119' ' ' HIS . 1.3 t-20 -166.53 35.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.739 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 68.7 p -51.48 -5.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.173 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.525 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.2 OUTLIER -75.73 11.23 1.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 0.0 110.657 -179.881 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.465 ' O ' HG13 ' A' ' 120' ' ' VAL . 4.1 p -138.94 129.33 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.68 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -91.47 120.92 32.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.346 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.527 HD21 ' CD1' ' A' ' 94' ' ' TRP . 0.7 OUTLIER -107.18 112.59 25.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.048 -179.736 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -94.34 121.16 35.58 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 21.0 mm -104.38 125.97 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.927 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -126.4 113.42 16.84 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -98.25 110.87 23.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.155 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.636 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -78.52 -38.82 39.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.788 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.487 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.5 OUTLIER -137.05 148.6 46.89 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.571 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.511 HG23 ' CB ' ' A' ' 99' ' ' SER . 2.1 mp -114.17 104.25 16.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.747 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.404 ' CZ ' ' O ' ' A' ' 26' ' ' ILE . 6.9 m-85 -140.13 118.69 12.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.258 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.417 ' C ' ' H ' ' A' ' 133' ' ' ASP . 19.6 p30 -177.61 138.3 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.462 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' TYR . . . . . 0.504 ' CD2' ' OD1' ' A' ' 133' ' ' ASP . 54.7 p90 -74.21 10.06 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.143 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.504 ' OD1' ' CD2' ' A' ' 132' ' ' TYR . 57.9 m-20 -125.48 78.99 67.68 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.545 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 136' ' ' TYR . 50.7 Cg_exo -49.9 -5.35 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.638 2.226 . . . . 0.0 112.492 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.499 ' H ' ' C ' ' A' ' 133' ' ' ASP . 2.6 mt -46.84 -14.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.608 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.486 ' N ' ' O ' ' A' ' 134' ' ' PRO . 0.2 OUTLIER -42.19 -33.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.546 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -52.74 -59.21 4.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.251 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.05 -32.21 63.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.154 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -69.02 -24.09 64.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.388 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.7 -43.54 54.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.245 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -80.12 -36.91 34.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.769 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -46.53 80.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.687 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.506 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 52.5 tp -66.19 -49.76 66.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.464 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.438 ' NH1' HD21 ' A' ' 194' ' ' LEU . 8.5 ttt85 -45.0 -48.66 11.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.555 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -58.54 -24.82 61.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.584 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 143' ' ' LEU . . . -70.81 -10.94 60.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.636 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.31 -32.34 6.04 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -47.59 164.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.77 0.319 . . . . 0.0 110.502 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -96.25 132.7 41.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.513 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.99 111.92 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.654 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.08 162.11 41.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.509 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 10.1 mt -83.02 132.87 30.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.449 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.586 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 5.8 ttt -41.51 118.92 1.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.539 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.24 160.03 15.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.642 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -56.21 -45.98 79.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.616 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -43.14 75.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.492 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -65.85 -40.27 91.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.519 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.586 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.8 OUTLIER -52.37 -41.45 63.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.536 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -67.03 -60.79 2.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.595 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.432 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -47.74 -44.47 28.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.363 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.529 ' O ' ' N ' ' A' ' 165' ' ' PHE . 1.3 m -67.19 -52.92 35.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.591 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 162' ' ' TRP . . . . . 0.585 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.1 t-105 -43.81 -66.57 0.37 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 163' ' ' ASP . . . . . 0.585 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -59.37 -30.35 68.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.452 -179.215 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.543 HG21 ' OE2' ' A' ' 36' ' ' GLU . 91.0 m -83.74 -16.36 45.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.354 -179.096 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.529 ' N ' ' O ' ' A' ' 161' ' ' CYS . 36.1 m-85 -120.42 19.7 12.0 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.377 -179.459 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.531 ' C ' ' H ' ' A' ' 168' ' ' HIS . 96.1 t -144.67 154.05 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.026 0.441 . . . . 0.0 111.121 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 167' ' ' ASP . . . . . 0.589 ' HA ' HD23 ' A' ' 12' ' ' LEU . 32.8 p30 -75.5 29.22 0.1 Allowed 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.873 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.744 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -37.84 -52.18 1.31 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.036 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 169' ' ' GLN . . . . . 0.609 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 7.0 mt-30 40.12 18.62 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.396 179.007 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 170' ' ' GLY . . . . . 0.744 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 138.92 4.42 1.56 Allowed Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.386 -0.685 . . . . 0.0 111.386 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.627 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 1.2 m -115.55 84.1 11.82 Favored Pre-proline 0 CA--C 1.53 0.201 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -79.19 131.87 10.02 Favored 'Trans proline' 0 C--N 1.313 -1.303 0 C-N-CA 122.137 1.891 . . . . 0.0 112.317 -179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.434 ' CE1' ' O ' ' A' ' 174' ' ' GLN . 2.4 t80 -79.31 128.72 33.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.65 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.459 ' CD ' ' N ' ' A' ' 174' ' ' GLN . 0.0 OUTLIER -101.23 156.68 34.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.423 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -71.29 146.89 52.0 Favored 'Trans proline' 0 N--CA 1.494 1.5 0 C-N-CA 122.476 2.118 . . . . 0.0 112.098 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 1.2 p90 -101.18 -170.06 1.78 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.292 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.25 86.56 7.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.585 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 151.78 -24.76 0.93 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 3.1 tp -56.57 -38.26 71.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 110.46 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 180' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 180' ' ' ASP . 0.0 OUTLIER -70.4 -50.93 33.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.495 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -56.47 -57.19 13.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.54 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -49.38 -55.45 12.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.575 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 55.4 p -48.46 -39.72 23.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.63 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -66.73 -48.04 70.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.461 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -57.7 -58.62 7.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.425 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 5.6 mt -51.6 -49.15 62.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.519 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 48.4 m -56.51 -25.04 50.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.492 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -72.42 -44.98 39.96 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 189' ' ' ARG . . . . . 0.55 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 22.2 mtm180 -59.4 -61.67 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.318 . . . . 0.0 110.493 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.2 tt -47.8 -56.65 6.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.468 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 191' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 195' ' ' GLN . 6.7 ttt180 -49.97 -36.17 27.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.564 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 192' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -57.78 -50.42 73.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.62 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 193' ' ' ILE . . . . . 0.507 ' N ' HD12 ' A' ' 193' ' ' ILE . 1.7 mp -59.45 -38.12 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.461 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.438 HD21 ' NH1' ' A' ' 144' ' ' ARG . 4.0 mt -77.58 -30.88 52.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.55 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 195' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 191' ' ' ARG . 30.1 mm-40 -133.44 -99.78 0.26 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.549 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -163.24 -56.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.562 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -141.59 -62.42 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.566 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 175.18 -116.84 0.59 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 199' ' ' ASN . . . . . 0.413 ' O ' ' OD1' ' A' ' 199' ' ' ASN . 27.6 p30 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.491 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.521 ' O ' ' N ' ' A' ' 3' ' ' ALA . 1.6 mmt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 4.9 mp0 49.65 -87.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.666 -179.904 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 1' ' ' MET . . . 66.6 110.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.599 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.81 162.62 28.52 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.394 -179.91 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.652 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 39.6 Cg_endo -69.75 -28.14 25.67 Favored 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.488 2.125 . . . . 0.0 112.066 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 5' ' ' PRO . . . 78.09 -38.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.622 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 m 59.16 103.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.59 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.02 -61.9 6.93 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -45.52 114.77 0.8 Allowed 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.743 2.295 . . . . 0.0 112.042 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.67 169.99 19.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.701 -179.916 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -156.94 68.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.241 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.512 ' N ' HD12 ' A' ' 12' ' ' LEU . 6.4 mp -94.55 174.98 6.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.068 -179.835 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.508 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -61.16 144.26 53.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.322 -179.818 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.0 138.7 79.34 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.781 -179.213 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.408 ' O ' ' OG1' ' A' ' 19' ' ' THR . 81.0 Cg_exo -40.96 -46.76 5.0 Favored 'Trans proline' 0 N--CA 1.491 1.331 0 C-N-CA 122.132 1.888 . . . . 0.0 112.407 179.436 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -70.17 -44.73 68.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.197 -179.442 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.7 mm -48.81 -39.18 11.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.75 -179.525 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -79.3 -60.89 2.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.689 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.5 OUTLIER -48.16 -24.24 1.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.642 -179.954 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.5 t -81.08 -49.36 10.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.63 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -71.81 -1.63 14.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.732 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -133.17 24.52 4.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.664 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.46 ' CG ' ' H ' ' A' ' 24' ' ' ASN . 53.2 t-20 -77.86 -119.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.614 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.46 ' H ' ' CG ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -148.7 157.61 43.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.497 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 43.38 70.96 0.47 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.527 ' C ' HD12 ' A' ' 26' ' ' ILE . 1.6 pp -103.2 -165.95 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.23 159.05 27.88 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.519 ' CA ' ' NE ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -68.64 124.34 23.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.415 0.626 . . . . 0.0 110.392 -179.289 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.574 ' N ' ' ND1' ' A' ' 29' ' ' HIS . 0.0 OUTLIER -157.29 -30.35 0.08 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.544 179.537 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.44 ' N ' ' ND1' ' A' ' 29' ' ' HIS . 2.9 pttt 168.23 77.35 0.0 OUTLIER 'General case' 0 C--O 1.231 0.095 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.793 179.641 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.9 t -44.52 162.29 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.769 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -110.65 151.05 28.14 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.754 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.1 tp -143.12 111.88 6.44 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.454 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.31 132.19 51.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.065 179.437 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.441 ' O ' ' CG ' ' A' ' 35' ' ' TYR . 6.5 p90 -123.82 134.57 53.59 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 -179.568 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -123.26 159.1 29.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.276 179.587 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.618 HG21 ' CE1' ' A' ' 51' ' ' HIS . 25.6 t -130.56 123.38 54.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.584 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.526 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 1.2 tm-20 -139.14 138.24 36.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.625 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -98.11 139.02 34.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.496 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.435 HD11 ' HB2' ' A' ' 91' ' ' ARG . 8.9 mt -105.77 137.79 43.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.502 -179.793 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -148.42 104.57 3.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.527 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.9 m120 55.66 36.1 26.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.554 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.9 -3.17 84.7 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.9 m -87.61 114.5 24.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 110.526 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.422 ' OG ' ' OE1' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -97.41 110.27 22.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.589 -179.938 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.8 t -101.53 98.37 6.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.532 179.906 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -73.33 131.55 42.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.444 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.464 ' O ' ' NH1' ' A' ' 52' ' ' ARG . 53.8 mtt -80.97 150.77 28.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.658 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.21 -50.4 5.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.474 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -108.44 71.07 0.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.383 179.834 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.622 ' NE2' HD22 ' A' ' 82' ' ' LEU . 33.9 t-80 -163.66 14.39 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.619 -179.734 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.464 ' NH1' ' O ' ' A' ' 48' ' ' MET . 5.5 ptp85 -124.21 170.84 10.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.56 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -178.94 -174.26 44.97 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.491 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 8.1 p90 -147.47 147.92 30.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.734 0.302 . . . . 0.0 110.678 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mp -133.56 166.67 22.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.592 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -128.94 151.57 49.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.217 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.429 ' O ' ' O ' ' A' ' 58' ' ' GLN . 0.1 OUTLIER -92.51 171.83 8.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 110.929 -179.804 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' ' 57' ' ' ASN . 2.3 tt0 48.94 101.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.736 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -103.33 16.49 26.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.584 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.5 mtpp 56.47 9.35 0.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.603 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -93.87 50.31 1.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.525 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 mp -76.42 -49.41 16.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.528 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.03 -20.84 66.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.511 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.487 ' O ' ' SG ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER -77.46 -5.9 51.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.514 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.74 -7.04 52.79 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -100.87 76.55 1.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.319 . . . . 0.0 110.545 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.466 ' O ' ' N ' ' A' ' 69' ' ' ARG . 0.6 OUTLIER -54.24 155.32 3.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.545 -179.939 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -41.18 93.99 0.01 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -100.58 117.33 34.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 110.412 179.92 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -42.45 138.83 1.67 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.538 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.62 -36.52 80.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.439 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -55.96 -52.14 65.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.493 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.2 mp -53.05 -39.01 62.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.477 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -69.46 -27.44 65.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.58 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -78.86 -48.22 15.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.593 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 tp -65.76 -20.32 66.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.667 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -77.43 -29.06 52.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.991 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.661 ' C ' HD12 ' A' ' 78' ' ' LEU . 4.1 pp -105.05 7.79 34.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.675 -179.891 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.572 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -63.88 -41.44 63.65 Favored Pre-proline 0 CA--C 1.532 0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.806 179.865 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 32.9 Cg_exo -58.5 -18.53 39.84 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.166 1.911 . . . . 0.0 111.9 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.2 t -57.1 -8.98 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.598 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.622 HD22 ' NE2' ' A' ' 51' ' ' HIS . 35.1 mt -97.41 -34.64 10.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.531 -179.783 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 56.34 44.91 23.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.89 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 79.6 mt -50.46 135.86 21.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.219 179.727 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.51 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -100.63 162.58 20.28 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.615 -179.798 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -71.75 3.8 3.54 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.572 2.182 . . . . 0.0 112.232 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.56 -70.61 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.567 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.473 ' N ' ' CD ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -129.68 -176.42 3.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.199 179.804 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.9 mt -84.64 157.96 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.612 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -127.92 169.71 13.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.618 -179.907 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.526 ' NH2' ' OE1' ' A' ' 38' ' ' GLU . 4.6 ttm180 -147.09 107.35 4.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.621 179.822 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 39.5 t -93.31 126.48 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.291 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.34 116.75 32.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.814 -179.649 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 14.0 m0 -101.31 131.96 47.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.568 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.518 ' CG ' ' SG ' ' A' ' 161' ' ' CYS . 19.0 m-85 -126.68 102.94 7.29 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 178.664 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.74 141.08 24.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.76 -178.548 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.626 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 2.9 p -93.24 -18.42 22.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.669 178.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.517 ' CE3' ' NH2' ' A' ' 28' ' ' ARG . 20.1 m95 -125.63 141.64 51.92 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.391 -179.903 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.807 ' OG ' HG23 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -54.33 159.73 2.98 Favored Pre-proline 0 C--N 1.331 -0.233 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.327 179.513 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -69.45 165.01 32.08 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 122.388 2.059 . . . . 0.0 112.203 179.715 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.598 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 13.9 p -96.58 -145.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.545 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.598 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -40.96 103.57 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.892 179.568 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.898 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 17.5 p -38.86 -24.63 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.646 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.52 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -84.61 -33.95 23.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.254 -179.59 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -77.65 -61.65 2.54 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -68.64 -68.95 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.742 0.306 . . . . 0.0 111.123 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.898 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -55.87 -60.36 3.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.092 -179.475 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -42.0 -53.05 4.77 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.68 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 105' ' ' GLY . 6.0 mm-40 -49.42 -44.68 45.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.37 . . . . 0.0 110.328 179.862 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 87.1 t -68.29 -43.33 84.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.438 179.832 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.495 ' NH2' ' OE1' ' A' ' 115' ' ' GLN . 69.7 ttt-85 -49.22 -58.51 4.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.42 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.8 -48.01 67.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.389 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -52.61 -36.45 56.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.508 179.843 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.464 ' C ' ' N ' ' A' ' 116' ' ' GLU . 4.8 mp -77.81 -58.48 3.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.55 -179.912 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.495 ' OE1' ' NH2' ' A' ' 111' ' ' ARG . 14.6 mt-30 -47.99 -15.17 0.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.42 179.86 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.464 ' N ' ' C ' ' A' ' 114' ' ' LEU . 29.9 tt0 -110.13 -38.64 5.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.808 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.689 ' O ' HG12 ' A' ' 120' ' ' VAL . 70.3 m-20 -125.3 52.95 1.57 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.825 -179.668 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.4 t -67.65 2.57 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.512 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.418 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.7 OUTLIER -76.31 9.83 2.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.358 179.871 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.689 HG12 ' O ' ' A' ' 117' ' ' ASN . 9.3 p -132.36 147.28 32.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.518 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -91.53 126.71 36.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.369 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.495 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -107.83 112.33 24.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.575 -179.793 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.495 ' N ' HD13 ' A' ' 122' ' ' LEU . 13.0 mtp180 -110.71 118.89 37.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.984 179.496 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.401 HG21 HD13 ' A' ' 124' ' ' ILE . 9.1 mt -105.45 129.17 58.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.117 -179.254 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.523 ' CD1' ' OE1' ' A' ' 157' ' ' GLU . 65.9 m-85 -124.86 108.49 11.97 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.734 179.514 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -92.22 106.87 18.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.265 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.626 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -75.17 -38.11 60.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.623 -179.846 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.43 132.88 28.52 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.733 179.889 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.807 HG23 ' OG ' ' A' ' 99' ' ' SER . 2.5 mp -98.2 109.71 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.621 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -127.96 135.35 49.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.383 179.672 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -168.39 171.75 8.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.681 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -103.57 -21.75 13.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.627 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.01 160.4 58.28 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.379 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.45 64.52 2.89 Favored 'Trans proline' 0 C--N 1.31 -1.472 0 C-N-CA 122.481 2.121 . . . . 0.0 111.898 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.5 tp -92.96 -30.79 15.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.571 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.596 ' OH ' HD12 ' A' ' 193' ' ' ILE . 0.5 OUTLIER -45.98 -24.92 0.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.51 -179.92 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.594 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 10.1 ttmm -58.9 -61.1 2.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.519 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.96 -36.04 69.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.53 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.7 -49.79 75.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.527 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.517 HD21 ' CD1' ' A' ' 190' ' ' LEU . 2.5 mp -52.99 -41.51 64.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.455 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.406 ' OE1' ' NH2' ' A' ' 144' ' ' ARG . 7.9 mm100 -70.89 -54.87 9.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.618 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 9.9 mmm -45.27 -41.97 9.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.587 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.1 mt -68.92 -42.41 76.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.645 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.406 ' NH2' ' OE1' ' A' ' 141' ' ' GLN . 16.3 ttm180 -56.31 -31.49 63.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.518 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.3 -14.15 41.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.579 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.43 -18.14 27.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.542 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.8 70.69 1.26 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -144.51 166.76 24.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 110.561 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -93.65 123.12 36.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.55 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -127.46 109.95 21.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.588 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 67.6 m -151.48 162.52 40.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.414 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 22.9 mt -90.91 139.03 18.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.495 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.585 ' SD ' ' CE1' ' A' ' 158' ' ' PHE . 2.8 ttm -48.87 120.03 3.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.593 -179.858 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 31.7 p -97.84 165.63 11.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.739 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -48.0 -44.26 30.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.663 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -62.2 -61.05 2.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.523 ' OE1' ' CD1' ' A' ' 125' ' ' PHE . 37.0 mt-10 -52.2 -29.05 20.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.603 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.585 ' CE1' ' SD ' ' A' ' 153' ' ' MET . 0.3 OUTLIER -63.25 -65.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.32 179.814 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -42.52 -41.22 2.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.612 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.93 -57.58 4.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.594 -179.894 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.612 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 2.6 t -55.08 -23.22 19.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.569 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 162' ' ' TRP . . . . . 0.617 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.4 t-105 -72.56 -70.52 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.209 -179.554 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 163' ' ' ASP . . . . . 0.617 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 1.4 p30 -66.23 -14.34 61.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.333 -179.359 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 87.1 m -81.71 -25.87 35.08 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.192 -179.604 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.508 ' O ' ' SD ' ' A' ' 13' ' ' MET . 5.3 m-85 -121.26 16.82 11.48 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.161 -179.547 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.551 ' C ' ' H ' ' A' ' 168' ' ' HIS . 71.5 t -130.66 153.8 39.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.882 0.372 . . . . 0.0 111.587 179.912 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 167' ' ' ASP . . . . . 0.47 ' N ' HG12 ' A' ' 166' ' ' VAL . 1.5 p-10 -74.69 29.71 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.608 178.885 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.73 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -36.84 -56.45 0.85 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.255 -179.783 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 169' ' ' GLN . . . . . 0.621 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 1.9 mt-30 42.72 14.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.232 179.423 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 170' ' ' GLY . . . . . 0.73 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 145.27 -1.69 1.05 Allowed Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.629 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 0.1 OUTLIER -99.57 106.25 38.71 Favored Pre-proline 0 CA--C 1.538 0.492 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.74 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -77.1 158.24 33.97 Favored 'Trans proline' 0 N--CA 1.491 1.354 0 C-N-CA 121.737 1.624 . . . . 0.0 112.723 -179.099 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -51.81 149.79 4.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.666 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -114.26 87.07 12.82 Favored Pre-proline 0 CA--C 1.533 0.305 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.617 -179.837 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -79.9 131.22 8.94 Favored 'Trans proline' 0 C--N 1.314 -1.247 0 C-N-CA 122.132 1.888 . . . . 0.0 112.027 -179.884 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 26.7 p90 -89.77 145.19 25.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.659 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -52.96 102.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.569 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 136.33 -12.6 4.07 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.17 -30.38 26.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.563 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 180' ' ' ASP . . . . . 0.406 ' O ' ' OG ' ' A' ' 183' ' ' SER . 34.0 m-20 -73.74 -47.55 38.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.508 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -62.63 -57.58 10.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.539 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -49.68 -46.63 50.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.572 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 183' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 180' ' ' ASP . 89.1 p -59.27 -44.77 92.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.656 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -56.19 -30.25 62.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.552 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -72.94 -65.17 0.83 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 8.4 mp -53.93 -49.24 69.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.466 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 22.8 m -59.58 -32.25 70.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.382 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -67.49 -37.51 89.96 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -61.22 -59.57 5.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.775 0.321 . . . . 0.0 110.476 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.517 ' CD1' HD21 ' A' ' 140' ' ' LEU . 1.9 mm? -57.18 -28.6 62.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.512 -179.916 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -79.81 -16.26 55.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.485 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -79.46 -49.22 12.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.628 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 193' ' ' ILE . . . . . 0.596 HD12 ' OH ' ' A' ' 136' ' ' TYR . 20.6 tt -68.63 -42.44 83.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.628 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.536 ' N ' HG23 ' A' ' 193' ' ' ILE . 0.7 OUTLIER -46.22 -22.28 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.411 179.958 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 195' ' ' GLN . . . . . 0.409 ' N ' ' C ' ' A' ' 193' ' ' ILE . 7.3 mm100 49.22 91.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.57 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 196' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 197' ' ' GLN . 9.4 t-20 60.47 164.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.519 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 197' ' ' GLN . . . . . 0.408 ' N ' ' OD1' ' A' ' 196' ' ' ASN . 43.3 mt-30 -56.58 -74.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.635 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -152.68 -85.09 0.05 OUTLIER Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.547 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.502 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 3' ' ' ALA . 3.6 ttt . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.567 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 94.8 mt-10 54.38 -91.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.612 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 2' ' ' GLU . . . 72.52 -66.62 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.598 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.429 ' C ' ' H ' ' A' ' 6' ' ' ALA . 24.3 p 42.72 70.84 1.6 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.575 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -51.01 -8.92 0.19 Allowed 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.833 2.356 . . . . 0.0 112.127 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.429 ' H ' ' C ' ' A' ' 4' ' ' SER . . . 53.6 53.47 11.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.593 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 26.8 p -163.84 91.33 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.585 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -137.38 177.09 20.12 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -75.03 -163.7 0.2 Allowed 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.943 2.429 . . . . 0.0 112.082 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.41 -179.45 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.558 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -156.05 83.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.663 179.948 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.546 ' N ' HD12 ' A' ' 12' ' ' LEU . 7.6 mp -95.17 173.35 7.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.329 179.857 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.473 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 2.6 mpp? -80.74 165.97 21.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.782 0.325 . . . . 0.0 110.447 179.594 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -81.15 143.21 52.27 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.824 -179.401 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.438 ' O ' ' OG1' ' A' ' 19' ' ' THR . 71.7 Cg_exo -42.44 -55.65 2.48 Favored 'Trans proline' 0 N--CA 1.489 1.257 0 C-N-CA 122.184 1.922 . . . . 0.0 112.701 179.612 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -59.74 -46.78 88.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.763 -179.056 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 mm -48.47 -36.06 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.853 -179.177 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -82.69 -61.14 1.96 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.724 0.297 . . . . 0.0 110.913 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -44.35 -24.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.783 -179.674 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.6 m -85.75 -59.7 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.759 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -64.78 -4.06 3.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 23' ' ' ASN . 41.8 m-85 -133.37 17.67 4.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.675 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 22' ' ' PHE . 58.9 t-20 -59.79 -123.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.5 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -158.92 119.67 3.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.674 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.702 ' H ' ' NH1' ' A' ' 128' ' ' ARG . . . 69.17 108.25 0.03 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.707 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -145.57 -167.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.867 0.365 . . . . 0.0 110.588 179.865 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.58 30.87 0.41 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.47 ' O ' ' CH2' ' A' ' 98' ' ' TRP . 0.2 OUTLIER -103.77 150.42 24.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.852 0.358 . . . . 0.0 110.638 -179.94 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.523 ' N ' ' ND1' ' A' ' 29' ' ' HIS . 0.6 OUTLIER -101.84 82.94 2.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.55 179.889 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.77 50.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.616 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 t -46.97 153.82 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.142 -179.77 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.65 ' CZ ' ' CD2' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -115.75 140.48 49.17 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.115 179.487 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.619 ' C ' HD23 ' A' ' 33' ' ' LEU . 5.3 tt -132.45 118.04 18.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.607 -179.692 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.616 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -111.67 125.55 54.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.075 179.578 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.401 ' CZ ' ' N ' ' A' ' 53' ' ' GLY . 29.4 p90 -115.26 143.1 45.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 -179.664 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.484 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 1.2 mm-40 -128.69 156.98 42.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.317 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.738 HG11 ' CE1' ' A' ' 51' ' ' HIS . 7.0 t -129.09 127.67 66.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.863 -179.79 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -136.7 118.12 14.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.351 179.609 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.1 ttt-85 -87.13 135.91 33.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.644 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.612 ' N ' HD22 ' A' ' 40' ' ' LEU . 3.6 mm? -72.59 145.3 47.46 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -153.44 107.33 3.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.616 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.05 22.12 8.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.567 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.91 -12.95 66.8 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.7 m -89.0 138.59 31.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.78 0.324 . . . . 0.0 110.579 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.421 ' O ' ' OG ' ' A' ' 45' ' ' SER . 0.9 OUTLIER -86.62 112.1 21.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.492 -179.941 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.3 t -99.57 107.22 20.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.585 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -83.57 136.36 34.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.51 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 57.9 mtm -99.85 145.96 27.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.657 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.4 -50.12 7.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.574 -179.899 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -92.15 69.74 5.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.44 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.738 ' CE1' HG11 ' A' ' 37' ' ' VAL . 13.9 t-80 -168.51 -5.61 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.539 -179.865 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -103.06 170.71 7.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.495 -179.913 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.401 ' N ' ' CZ ' ' A' ' 35' ' ' TYR . . . -175.05 175.83 47.12 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.454 ' CE1' ' SD ' ' A' ' 13' ' ' MET . 18.2 p90 -149.87 152.81 35.7 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.5 150.21 17.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 110.763 -179.876 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.733 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -100.58 164.43 11.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.246 179.828 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.464 ' CG ' ' N ' ' A' ' 58' ' ' GLN . 0.8 OUTLIER -86.83 -167.68 1.97 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.8 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.464 ' N ' ' CG ' ' A' ' 57' ' ' ASN . 14.0 tp60 74.81 -59.74 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.57 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 56.68 166.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.602 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.422 ' CG ' ' H ' ' A' ' 61' ' ' ASN . 1.4 tptp -75.86 -144.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.422 ' H ' ' CG ' ' A' ' 60' ' ' LYS . 1.2 m120 56.75 47.78 17.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.571 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.1 mt -60.48 -50.94 71.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.58 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.447 ' C ' ' H ' ' A' ' 65' ' ' GLY . 9.8 mp -53.06 -38.1 62.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.557 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 34.0 m -72.37 10.98 0.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 63' ' ' LEU . . . 50.26 28.08 12.81 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -84.19 -4.3 58.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.776 0.322 . . . . 0.0 110.619 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.429 ' C ' ' CD1' ' A' ' 67' ' ' TYR . 31.8 p90 -75.17 144.74 42.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.576 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.27 44.45 3.0 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -134.77 105.52 6.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.865 0.364 . . . . 0.0 110.592 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.752 ' CE1' HD13 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -43.06 140.31 1.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.665 179.931 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.1 -21.15 65.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.582 -178.944 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.52 ' OE2' ' CZ3' ' A' ' 94' ' ' TRP . 2.1 tp10 -42.31 -58.53 2.15 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.879 -179.462 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.752 HD13 ' CE1' ' A' ' 70' ' ' HIS . 3.8 mp -63.66 -48.47 77.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.178 -179.692 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.1 mmm-85 -44.0 -28.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.413 -179.822 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -84.54 -49.89 8.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.305 179.673 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.3 tp -60.15 -19.48 54.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.454 179.689 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -72.77 -41.48 65.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.701 -179.276 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.0 pp -97.11 8.79 43.77 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.02 -179.544 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.573 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -63.62 -41.55 66.55 Favored Pre-proline 0 CA--C 1.533 0.313 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.888 179.781 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 34.5 Cg_exo -57.19 -18.8 31.18 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.145 1.897 . . . . 0.0 111.95 -179.914 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.21 -22.07 64.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.463 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.687 HD22 ' CE1' ' A' ' 51' ' ' HIS . 10.7 mt -71.29 -26.2 62.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.475 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 63.22 47.22 4.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.736 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' A' ' 84' ' ' LEU . 74.9 mt -41.81 156.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.439 179.76 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -115.28 85.43 12.85 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.662 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -48.07 -13.93 0.25 Allowed 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 122.257 1.971 . . . . 0.0 112.229 -179.783 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.33 -18.7 51.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.342 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -138.63 -167.55 2.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.535 ' H ' HD12 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -107.79 158.95 7.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.065 0.46 . . . . 0.0 110.587 179.803 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -140.1 163.78 31.79 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.798 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -128.2 105.75 8.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.381 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.1 t -95.18 111.3 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.285 179.801 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -98.97 118.74 36.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.757 -179.782 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.52 ' CZ3' ' OE2' ' A' ' 72' ' ' GLU . 17.6 m0 -100.92 132.28 46.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.73 179.879 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -123.11 102.72 8.13 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.361 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.42 134.18 56.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.695 -178.118 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.613 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 1.4 p -86.5 -26.49 24.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.904 178.888 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.47 ' CH2' ' O ' ' A' ' 28' ' ' ARG . 18.3 m95 -111.89 153.35 26.8 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.674 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.51 160.82 76.5 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.367 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -56.0 172.86 0.49 Allowed 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.58 2.187 . . . . 0.0 112.06 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.97 -74.06 0.63 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.605 -179.803 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.52 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -101.63 99.19 9.44 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.438 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.903 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 52.1 m -41.61 -30.18 0.21 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.985 -179.529 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -85.41 -23.92 27.72 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.731 -179.297 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -84.89 -62.15 1.7 Allowed Glycine 0 CA--C 1.525 0.682 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.223 -179.627 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 106' ' ' CYS . . . . . 0.832 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -72.92 -59.23 2.81 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.142 -179.651 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.903 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -62.33 -50.48 71.45 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.665 -179.877 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -48.96 -43.03 30.86 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.862 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.64 ' HG3' HD11 ' A' ' 73' ' ' LEU . 10.4 mm-40 -71.02 -37.01 72.61 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.093 179.702 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 106' ' ' CYS . 94.1 t -62.71 -62.95 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.436 179.672 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.552 ' NE ' HE21 ' A' ' 115' ' ' GLN . 0.1 OUTLIER -47.21 -51.72 17.77 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.331 -0.547 . . . . 0.0 109.577 179.866 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.55 ' N ' ' CG ' ' A' ' 111' ' ' ARG . . . -42.25 -44.88 3.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.423 -179.677 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -63.04 -33.18 74.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.706 179.729 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 111' ' ' ARG . 5.2 mt -76.13 -58.99 2.96 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.269 -179.521 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.552 HE21 ' NE ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -58.86 -14.08 7.99 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.241 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -103.19 -39.26 6.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.503 ' O ' ' N ' ' A' ' 119' ' ' HIS . 3.1 m-80 -125.19 49.19 1.91 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.883 -179.801 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.437 ' C ' ' H ' ' A' ' 120' ' ' VAL . 1.6 t -45.71 -13.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.081 -179.814 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.508 ' CE1' ' CG2' ' A' ' 120' ' ' VAL . 10.2 p80 -76.23 17.63 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.05 0.453 . . . . 0.0 110.472 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.508 ' CG2' ' CE1' ' A' ' 119' ' ' HIS . 42.2 t -140.14 138.3 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.384 179.822 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -91.3 148.49 22.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.111 179.766 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.497 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -129.81 112.39 13.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.815 -179.567 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.497 ' N ' HD13 ' A' ' 122' ' ' LEU . 11.3 mmt180 -114.05 118.95 35.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.788 179.385 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.401 HD12 HD21 ' A' ' 143' ' ' LEU . 7.7 mt -105.07 129.8 57.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.039 -179.36 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.521 ' CE1' ' OE2' ' A' ' 157' ' ' GLU . 66.6 m-85 -124.5 114.74 19.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.574 179.644 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -98.43 96.86 8.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.49 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.613 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -65.0 -37.62 88.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.675 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.702 ' NH1' ' H ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -138.56 134.01 33.3 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.726 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.761 ' N ' HD13 ' A' ' 129' ' ' ILE . 0.0 OUTLIER -92.48 110.0 22.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.268 179.756 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -162.55 129.38 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.453 -179.848 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.478 ' C ' ' H ' ' A' ' 133' ' ' ASP . 29.1 p-10 -174.64 131.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.493 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -70.72 9.81 0.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.213 179.8 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.533 ' C ' ' H ' ' A' ' 135' ' ' LEU . 53.3 m-20 -119.63 85.62 33.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.506 -179.909 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 136' ' ' TYR . 50.2 Cg_exo -50.43 -1.27 0.04 OUTLIER 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.639 2.226 . . . . 0.0 112.818 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.533 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.4 tp -69.48 4.66 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.8 0.333 . . . . 0.0 110.577 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.453 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 6.9 p90 -56.99 -30.39 64.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.77 -179.909 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -57.7 -60.07 4.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.336 179.815 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -59.14 -23.57 62.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.301 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 136' ' ' TYR . . . -69.25 -34.35 74.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.564 179.893 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.0 mp -72.51 -43.77 63.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.65 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -74.69 -48.89 23.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.796 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.3 -54.6 20.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.701 -179.832 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.448 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 29.7 tp -61.56 -43.7 98.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.79 -179.777 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.471 ' C ' ' H ' ' A' ' 146' ' ' ALA . 36.8 ttp180 -47.4 -41.33 19.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.836 -179.768 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -63.22 2.28 0.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.711 -179.857 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.471 ' H ' ' C ' ' A' ' 144' ' ' ARG . . . -104.48 -24.21 13.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.652 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 102.9 -24.62 30.07 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -46.92 157.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.744 0.306 . . . . 0.0 110.603 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -95.7 124.76 39.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.524 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 150' ' ' VAL . 10.6 p -132.0 109.7 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.546 -179.875 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.11 162.02 41.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.608 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.93 139.09 19.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.516 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.585 ' SD ' ' CD1' ' A' ' 158' ' ' PHE . 9.2 ttm -49.8 148.4 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.634 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.09 156.16 29.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.683 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.466 ' C ' ' CD1' ' A' ' 155' ' ' TYR . 11.6 t80 -43.35 -47.92 6.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.789 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.74 -46.16 77.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.574 -179.872 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.521 ' OE2' ' CE1' ' A' ' 125' ' ' PHE . 14.1 mt-10 -64.84 -41.61 95.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.727 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.585 ' CD1' ' SD ' ' A' ' 153' ' ' MET . 4.9 m-85 -51.99 -49.06 64.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.444 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 13.6 ttpt -57.28 -59.58 4.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.428 ' CD2' ' C ' ' A' ' 160' ' ' HIS . 0.0 OUTLIER -43.03 -40.72 3.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.895 -179.771 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 165' ' ' PHE . 93.4 m -76.71 -64.32 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.883 -179.635 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 162' ' ' TRP . . . . . 0.488 ' CD1' ' C ' ' A' ' 162' ' ' TRP . 1.1 t-105 -44.33 -31.51 1.06 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.978 0.418 . . . . 0.0 110.584 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.13 -46.68 12.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.377 -179.761 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 30.7 m -86.91 -50.32 6.77 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -178.492 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.523 ' N ' ' O ' ' A' ' 161' ' ' CYS . 6.1 m-85 -74.54 12.8 0.71 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.489 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 168' ' ' HIS . 1.0 OUTLIER -150.16 137.54 13.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.526 179.588 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 167' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' A' ' 169' ' ' GLN . 0.0 OUTLIER -69.85 65.99 0.24 Allowed 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.717 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.526 ' O ' ' N ' ' A' ' 170' ' ' GLY . 0.2 OUTLIER -56.23 -8.23 0.46 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.609 -179.188 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 169' ' ' GLN . . . . . 0.42 ' H ' ' C ' ' A' ' 167' ' ' ASP . 25.7 mm-40 40.2 22.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.631 179.758 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 170' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 168' ' ' HIS . . . 100.34 32.66 5.42 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -179.742 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.521 ' N ' ' O ' ' A' ' 168' ' ' HIS . 9.2 t -116.31 84.56 14.49 Favored Pre-proline 0 C--N 1.331 -0.227 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 -179.871 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -47.95 164.28 0.18 Allowed 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 122.326 2.017 . . . . 0.0 112.195 -179.633 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -51.78 149.68 4.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.999 -179.459 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -116.95 85.99 18.83 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.344 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -77.14 131.9 12.25 Favored 'Trans proline' 0 C--N 1.314 -1.266 0 C-N-CA 122.068 1.846 . . . . 0.0 112.195 -179.519 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 13.2 p90 -100.18 167.4 10.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.632 -179.811 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.73 116.04 9.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.609 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 125.89 -27.71 5.08 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.0 tt -43.05 -33.72 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.33 . . . . 0.0 110.533 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -66.89 -60.9 2.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.482 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -55.14 -47.2 75.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.424 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 182' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 185' ' ' ALA . 68.8 m-70 -55.27 -62.56 1.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.539 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 39.4 p -43.87 -33.62 1.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.489 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -68.68 -35.45 77.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.431 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 185' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 182' ' ' HIS . . . -66.18 -48.23 71.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.438 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 186' ' ' LEU . . . . . 0.706 HD12 HD11 ' A' ' 129' ' ' ILE . 4.2 mm? -53.07 -47.34 68.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.032 179.745 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -27.07 68.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.106 179.604 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -68.16 -29.04 73.15 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.755 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 10.2 mtt85 -77.69 -61.72 1.9 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.85 0.357 . . . . 0.0 110.424 179.84 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.5 tt -54.29 -44.92 72.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.406 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -60.57 -43.1 97.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.601 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -49.25 -52.43 27.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.557 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 193' ' ' ILE . . . . . 0.509 ' N ' HD12 ' A' ' 193' ' ' ILE . 1.6 mp -61.22 -56.6 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.489 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.3 mt -53.95 -16.96 2.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.483 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -137.14 91.85 2.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.514 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 196' ' ' ASN . . . . . 0.463 ' C ' ' H ' ' A' ' 198' ' ' GLY . 0.6 OUTLIER -100.45 176.93 5.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.691 -179.945 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 59.74 2.31 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.641 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 198' ' ' GLY . . . . . 0.463 ' H ' ' C ' ' A' ' 196' ' ' ASN . . . -104.37 81.04 0.32 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 61.6 t30 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.563 -179.988 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mpt? . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -82.0 79.84 8.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.473 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.41 17.35 1.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.557 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.7 t 61.22 60.47 3.11 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.653 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -74.03 153.88 47.19 Favored 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.698 2.265 . . . . 0.0 112.242 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -102.66 -165.79 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.588 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.3 m -136.88 -148.43 0.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.565 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 179.39 68.1 0.07 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -50.21 117.13 2.9 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.836 2.357 . . . . 0.0 112.13 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.48 ' H ' HD11 ' A' ' 12' ' ' LEU . 6.2 tpt180 -161.02 96.96 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.527 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 46.93 86.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.486 -179.818 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.858 HD22 ' N ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -107.1 173.23 6.41 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.842 -179.96 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.6 ptp -91.14 163.03 14.42 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.228 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -69.58 146.05 95.69 Favored Pre-proline 0 CA--C 1.535 0.385 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.745 -179.353 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.42 ' O ' ' OG1' ' A' ' 19' ' ' THR . 88.1 Cg_exo -40.32 -49.19 3.98 Favored 'Trans proline' 0 N--CA 1.49 1.296 0 C-N-CA 122.296 1.997 . . . . 0.0 112.004 179.342 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.559 ' CG ' ' N ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -61.01 -54.33 46.19 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.408 -179.938 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.559 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 3.7 mm -48.58 -30.09 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.642 -179.692 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -81.77 -51.89 7.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.531 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -55.51 -33.69 63.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.444 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 16' ' ' HIS . 0.4 OUTLIER -72.59 -50.06 28.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.498 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.503 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 26.5 m120 -67.18 -11.71 58.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.507 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -133.22 26.09 4.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.527 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 19' ' ' THR . 0.2 OUTLIER -67.02 -14.37 62.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.556 -179.911 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.508 ' OD1' ' NH1' ' A' ' 128' ' ' ARG . 0.6 OUTLIER 63.88 128.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.453 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.628 ' N ' HH11 ' A' ' 128' ' ' ARG . . . 76.0 64.83 2.14 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.421 ' C ' HD12 ' A' ' 26' ' ' ILE . 1.1 pp -101.64 -175.85 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.802 0.334 . . . . 0.0 110.593 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -154.46 2.45 0.22 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.86 166.77 11.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.731 0.301 . . . . 0.0 110.512 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -100.96 93.07 5.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.545 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -173.09 52.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.361 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.766 HG22 ' CD2' ' A' ' 98' ' ' TRP . 3.2 p -46.85 162.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.987 -179.75 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.503 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -128.07 139.0 52.77 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.373 179.881 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.654 ' C ' HD23 ' A' ' 33' ' ' LEU . 6.3 tt -136.55 120.7 17.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.452 -179.763 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.59 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -113.73 110.28 19.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.245 179.632 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -92.93 134.5 35.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.82 -179.6 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.489 ' OE2' HG21 ' A' ' 164' ' ' THR . 3.6 tt0 -126.19 129.78 49.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.534 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.665 HG21 ' CE1' ' A' ' 51' ' ' HIS . 53.2 t -101.56 125.78 55.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.641 -179.916 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -133.05 127.12 33.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.523 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.5 ttm-85 -86.86 142.99 27.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.379 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mp -99.29 139.62 34.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.65 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -143.27 99.58 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.556 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.0 m-20 49.54 53.36 12.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.58 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.31 -27.1 2.85 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.0 m -69.68 120.93 16.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.783 0.325 . . . . 0.0 110.562 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.5 p -100.24 113.56 26.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.662 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.3 t -113.27 123.18 68.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.424 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.548 ' H ' ' CD ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -81.98 153.35 26.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.711 -179.842 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -102.95 147.01 27.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.52 179.899 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 49' ' ' ASP . 17.1 p-10 -93.99 -50.17 5.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.551 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.3 61.32 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.436 179.916 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.665 ' CE1' HG21 ' A' ' 37' ' ' VAL . 24.0 t-80 -170.27 25.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 -179.85 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -131.3 164.67 25.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.479 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -178.8 -175.39 45.81 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -149.21 164.09 35.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 110.812 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.8 mt -143.42 178.34 7.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.498 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.428 ' O ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -129.35 138.02 51.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.564 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' A' ' 56' ' ' HIS . 0.8 OUTLIER -45.07 171.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.608 179.944 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -83.73 113.76 21.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.59 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.59 -144.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.583 179.876 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.476 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 24.8 tptt -83.94 134.38 34.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.515 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.476 ' ND2' ' O ' ' A' ' 60' ' ' LYS . 0.8 OUTLIER -174.94 108.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.526 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.465 HD13 ' HA2' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -76.17 -0.54 22.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.481 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.9 mp -50.3 -49.75 52.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.539 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 7.1 t -103.23 -3.91 25.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.544 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.465 ' HA2' HD13 ' A' ' 62' ' ' LEU . . . 104.44 34.32 3.65 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.501 ' O ' ' CG ' ' A' ' 66' ' ' PHE . 23.9 t80 53.26 85.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.7 0.286 . . . . 0.0 110.72 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -117.34 119.96 36.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.558 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -82.93 85.11 1.52 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.8 mtm-85 -103.66 135.97 44.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 0.0 110.788 -179.907 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.465 ' C ' ' N ' ' A' ' 72' ' ' GLU . 2.1 t60 -65.38 131.5 46.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.437 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -47.3 -15.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.436 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.465 ' N ' ' C ' ' A' ' 70' ' ' HIS . 2.5 tt0 -61.11 -57.42 12.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.584 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.0 mt -50.25 -46.58 54.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.593 -179.886 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -56.36 -34.86 67.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.532 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -77.42 -42.72 35.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.537 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.2 mt -68.34 -20.15 64.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.655 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -78.19 -24.41 47.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 -179.538 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.674 ' C ' HD12 ' A' ' 78' ' ' LEU . 4.1 pp -109.52 6.02 23.71 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.798 0.332 . . . . 0.0 110.929 -179.76 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.591 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -64.1 -41.21 60.25 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.749 179.907 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 23.7 Cg_exo -60.88 -19.17 60.95 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.356 2.037 . . . . 0.0 112.006 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.2 m -66.99 -24.83 66.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.587 -179.915 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.652 HD22 ' NE2' ' A' ' 51' ' ' HIS . 9.8 mt -73.57 -18.88 61.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.531 -179.849 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 56.11 45.58 23.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.452 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.6 mt -41.27 154.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.598 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.471 ' C ' ' H ' ' A' ' 87' ' ' ALA . 9.2 m-20 -116.69 85.03 16.22 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.508 179.913 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -49.84 -7.88 0.1 Allowed 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.331 2.021 . . . . 0.0 112.277 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.471 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -52.2 -17.28 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.477 179.875 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -139.83 -175.17 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.477 179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.0 mm -92.54 155.32 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.605 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -145.03 168.81 19.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.672 -179.88 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -147.63 109.96 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.357 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.72 125.87 62.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.537 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.434 HG23 ' HB2' ' A' ' 123' ' ' ARG . 54.8 m -128.47 128.45 44.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.344 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.531 ' CH2' HG22 ' A' ' 110' ' ' VAL . 1.7 m0 -105.73 132.27 52.07 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.862 179.862 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -96.16 102.61 14.43 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 177.777 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.87 144.46 16.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.057 0.456 . . . . 0.0 112.051 -177.563 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.658 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 0.1 OUTLIER -96.94 -17.82 19.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.178 179.184 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.766 ' CD2' HG22 ' A' ' 31' ' ' THR . 23.9 m95 -115.26 143.68 44.88 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.538 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.22 156.96 90.09 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -42.08 163.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.312 0 C-N-CA 122.253 1.968 . . . . 0.0 112.263 179.638 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.3 p -112.17 -52.09 2.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.142 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.487 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.2 OUTLIER -135.98 113.31 10.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.761 179.597 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 108' ' ' GLY . 2.3 m -43.66 -33.03 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.913 -179.683 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -84.52 -21.33 30.58 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.968 -179.747 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -86.15 -63.79 1.5 Allowed Glycine 0 CA--C 1.527 0.797 0 C-N-CA 120.394 -0.908 . . . . 0.0 110.965 179.847 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 106' ' ' CYS . . . . . 0.555 ' O ' HG23 ' A' ' 110' ' ' VAL . 1.3 m -79.2 -69.23 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.724 0.297 . . . . 0.0 111.053 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -57.48 -24.47 55.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.534 -179.746 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -67.87 -58.95 6.94 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 179.653 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -60.12 -22.08 62.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.879 0.371 . . . . 0.0 110.488 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 106' ' ' CYS . 57.3 t -71.03 -62.83 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.791 -179.908 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.557 ' NH2' ' CE ' ' A' ' 142' ' ' MET . 3.5 ptp180 -58.01 -38.04 75.42 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.215 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -53.36 -49.4 67.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.37 179.767 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 117' ' ' ASN . 1.3 t80 -55.41 -53.28 58.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.607 179.897 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.42 ' CD2' ' O ' ' A' ' 120' ' ' VAL . 86.7 mt -58.88 -48.97 79.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.716 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -46.56 -35.75 6.12 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.345 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.417 ' O ' ' OD1' ' A' ' 117' ' ' ASN . 22.7 mt-10 -110.17 5.2 21.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.13 -179.882 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.46 ' C ' ' H ' ' A' ' 119' ' ' HIS . 28.6 m-80 -153.65 46.56 0.64 Allowed 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.952 -179.883 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 76.5 p -51.43 -10.59 0.1 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.713 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.645 ' CD2' HG23 ' A' ' 120' ' ' VAL . 0.1 OUTLIER -79.91 9.91 4.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.619 -179.919 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.645 HG23 ' CD2' ' A' ' 119' ' ' HIS . 74.2 t -126.9 129.54 71.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.481 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.511 ' CZ ' HH22 ' A' ' 123' ' ' ARG . 25.6 mtp180 -92.14 112.68 24.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.424 179.892 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.59 HD13 ' H ' ' A' ' 123' ' ' ARG . 0.1 OUTLIER -99.27 134.02 42.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.456 -179.795 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.59 ' H ' HD13 ' A' ' 122' ' ' LEU . 45.5 mtt-85 -131.84 133.14 44.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.567 179.899 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 28.5 mm -106.04 121.56 58.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.454 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -110.61 97.84 7.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.552 -179.821 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -90.34 108.24 19.65 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.181 179.675 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.658 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -84.58 -44.16 13.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.769 -179.673 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.628 HH11 ' N ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -132.31 138.82 47.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.866 0.365 . . . . 0.0 110.482 -179.917 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.3 mt -98.63 117.43 43.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.659 -179.893 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -157.59 118.86 3.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.483 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.3 -167.74 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.491 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -104.9 -63.01 1.26 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.614 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.479 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -99.69 162.6 20.62 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.434 -179.857 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -69.92 21.18 0.18 Allowed 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.599 2.199 . . . . 0.0 112.15 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.479 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.3 mt -57.07 -25.32 58.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.553 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.462 ' CD1' ' N ' ' A' ' 137' ' ' LYS . 0.6 OUTLIER -56.3 -20.61 19.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.516 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.462 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 16.5 tttm -67.47 -60.21 2.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.449 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.03 -30.51 62.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.494 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.24 -56.06 24.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.526 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.9 mp -51.17 -44.73 61.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.494 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -60.71 3.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.666 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.557 ' CE ' ' NH2' ' A' ' 111' ' ' ARG . 13.3 mtp -54.7 -26.23 32.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.543 -179.901 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.571 ' CD1' ' HB3' ' A' ' 148' ' ' ALA . 0.2 OUTLIER -60.57 -60.85 3.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.473 179.769 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -55.82 -42.19 75.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.614 -179.891 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.35 -6.25 13.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.592 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -102.2 -4.68 25.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.587 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.33 -12.29 10.32 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.571 ' HB3' ' CD1' ' A' ' 143' ' ' LEU . . . -56.79 161.68 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.848 0.356 . . . . 0.0 110.572 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 149' ' ' GLN . . . . . 0.471 ' OE1' ' NH1' ' A' ' 123' ' ' ARG . 3.0 tt0 -101.29 112.75 25.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.589 -179.932 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.545 HG13 ' O ' ' A' ' 150' ' ' VAL . 8.0 p -111.46 125.38 68.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.544 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.5 m -153.18 161.92 41.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.593 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.507 HG12 HD12 ' A' ' 190' ' ' LEU . 3.5 mm -94.74 150.76 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.462 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 11.0 ttm -52.14 152.36 3.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.75 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 12.2 t -136.27 -177.65 4.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.557 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -73.94 -41.53 61.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.778 -179.915 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.97 -60.92 2.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.827 -179.88 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.09 -25.16 44.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.62 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.555 ' CE1' ' CZ ' ' A' ' 173' ' ' PHE . 0.2 OUTLIER -64.02 -57.96 8.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.805 0.336 . . . . 0.0 110.658 -179.755 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -53.92 -45.82 71.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.093 -179.855 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.538 ' CD2' ' N ' ' A' ' 161' ' ' CYS . 0.3 OUTLIER -68.79 -58.19 4.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.786 0.326 . . . . 0.0 110.867 -179.595 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.538 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 18.0 t -55.61 -23.6 28.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.761 -179.872 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 162' ' ' TRP . . . . . 0.59 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 8.0 t-105 -71.69 -70.51 0.32 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.924 -179.666 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 163' ' ' ASP . . . . . 0.59 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 1.0 OUTLIER -62.85 -14.35 44.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.248 -179.472 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.489 HG21 ' OE2' ' A' ' 36' ' ' GLU . 90.3 m -84.79 -25.25 28.3 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.962 -179.709 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -121.3 19.34 11.43 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.882 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.514 ' C ' ' H ' ' A' ' 168' ' ' HIS . 96.3 t -142.7 135.5 26.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.896 0.379 . . . . 0.0 110.785 179.855 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 167' ' ' ASP . . . . . 0.49 ' C ' ' N ' ' A' ' 169' ' ' GLN . 4.0 p30 -73.94 38.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.731 179.519 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.676 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.2 OUTLIER -47.69 -13.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.334 -179.982 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 169' ' ' GLN . . . . . 0.49 ' N ' ' C ' ' A' ' 167' ' ' ASP . 14.7 mm-40 46.01 12.69 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.976 179.74 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 170' ' ' GLY . . . . . 0.676 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 124.67 29.63 1.04 Allowed Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 179.588 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.667 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.0 OUTLIER -113.4 92.28 22.64 Favored Pre-proline 0 CA--C 1.538 0.498 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.689 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -47.96 154.02 2.37 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.157 1.905 . . . . 0.0 112.275 -179.479 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.555 ' CZ ' ' CE1' ' A' ' 158' ' ' PHE . 37.6 t80 -55.82 149.58 14.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.735 -179.726 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -111.71 96.35 32.37 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.691 -179.605 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -78.63 145.16 20.34 Favored 'Trans proline' 0 N--CA 1.487 1.143 0 C-N-CA 121.906 1.737 . . . . 0.0 112.042 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 176' ' ' TRP . . . . . 0.712 ' HE1' ' CD2' ' A' ' 182' ' ' HIS . 0.9 OUTLIER -81.28 179.07 8.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.53 -179.848 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 177' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 177' ' ' ASP . 30.7 p-10 -92.5 85.68 5.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.653 -179.892 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 144.48 40.56 0.06 OUTLIER Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 179' ' ' LEU . . . . . 0.616 HD12 ' NE1' ' A' ' 176' ' ' TRP . 0.8 OUTLIER -70.73 -50.47 35.81 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.829 -179.425 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -61.62 -24.08 66.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.391 . . . . 0.0 110.462 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -70.02 -61.78 1.64 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.977 -179.88 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 182' ' ' HIS . . . . . 0.712 ' CD2' ' HE1' ' A' ' 176' ' ' TRP . 3.8 p80 -71.51 -37.35 71.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.92 -179.598 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 183' ' ' SER . . . . . 0.553 ' N ' ' ND1' ' A' ' 182' ' ' HIS . 36.8 m -61.88 -57.7 10.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.6 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -33.63 67.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.509 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -54.43 -57.61 10.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.497 179.924 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 186' ' ' LEU . . . . . 0.475 HD11 HH21 ' A' ' 128' ' ' ARG . 40.3 mt -65.43 -47.32 76.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.651 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.13 -39.12 63.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.647 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -63.46 -48.17 80.73 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 189' ' ' ARG . . . . . 0.56 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 2.2 ttt180 -52.32 -57.46 9.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 0.0 110.585 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.507 HD12 HG12 ' A' ' 152' ' ' ILE . 1.0 OUTLIER -45.18 -55.2 6.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.428 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -50.95 -31.74 18.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.477 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 192' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -65.38 -40.12 93.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.545 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 193' ' ' ILE . . . . . 0.508 ' N ' HD12 ' A' ' 193' ' ' ILE . 1.7 mp -68.98 -37.56 77.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.542 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 60.2 mt -69.65 9.73 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.641 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 195' ' ' GLN . . . . . 0.479 ' H ' ' C ' ' A' ' 193' ' ' ILE . 13.3 mm100 -74.34 -53.05 10.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.556 179.937 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 196' ' ' ASN . . . . . 0.433 ' OD1' ' N ' ' A' ' 197' ' ' GLN . 11.2 t30 -93.96 130.75 39.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.505 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 197' ' ' GLN . . . . . 0.433 ' N ' ' OD1' ' A' ' 196' ' ' ASN . 4.1 mp0 -132.9 -14.49 2.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.566 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 102.77 23.61 8.64 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.936 -1.03 . . . . 0.0 110.499 -179.978 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 mtm . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -96.71 -72.29 0.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.526 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 47.21 -98.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.532 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.98 162.61 20.48 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.499 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -69.62 -65.77 0.04 OUTLIER 'Trans proline' 0 C--N 1.308 -1.56 0 C-N-CA 122.537 2.158 . . . . 0.0 112.108 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.49 99.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.53 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 83.6 p -102.07 69.01 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.585 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 167.8 -61.01 0.21 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_exo -45.78 96.89 0.03 OUTLIER 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.76 2.307 . . . . 0.0 112.137 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -149.5 109.6 4.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.54 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -162.26 76.65 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.582 -179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.5 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 7.0 mp -95.2 172.99 7.78 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.228 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -68.66 147.01 52.49 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.459 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.7 OUTLIER -70.36 146.73 94.62 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.556 -179.487 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.418 ' O ' ' OG1' ' A' ' 19' ' ' THR . 85.7 Cg_exo -39.41 -49.09 3.2 Favored 'Trans proline' 0 N--CA 1.488 1.202 0 C-N-CA 122.251 1.967 . . . . 0.0 111.992 179.575 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -67.86 -47.91 67.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.043 -179.689 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.3 mm -54.53 -37.72 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.695 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -72.19 -60.96 1.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.734 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.7 OUTLIER -54.81 -28.63 50.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.53 -179.953 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 m -65.79 -52.36 51.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.44 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.55 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 18.8 m120 -57.1 -39.79 75.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.533 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -98.96 31.13 3.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.691 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -71.61 71.64 0.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.447 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 42.21 -137.79 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.429 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.428 ' HA2' ' HE ' ' A' ' 128' ' ' ARG . . . -82.73 137.92 17.42 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.811 HD11 ' HE1' ' A' ' 98' ' ' TRP . 0.7 OUTLIER -136.03 166.91 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 0.0 110.58 -179.865 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -99.59 -29.57 6.93 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 179.809 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.736 ' HE ' ' N ' ' A' ' 29' ' ' HIS . 0.0 OUTLIER -73.35 131.6 42.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 0.0 110.123 179.775 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.736 ' N ' ' HE ' ' A' ' 28' ' ' ARG . 47.4 p-80 -71.65 44.08 0.1 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.339 179.719 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.431 ' H ' ' C ' ' A' ' 28' ' ' ARG . 8.2 tttm -71.46 41.78 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.244 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 29' ' ' HIS . 2.2 p -46.99 114.71 0.9 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.62 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.55 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -106.02 141.9 36.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.39 179.856 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.8 tp -135.58 109.63 8.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.522 -179.489 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.68 113.59 27.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.143 179.423 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 16.6 p90 -102.17 146.81 27.43 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.945 0.403 . . . . 0.0 111.236 -179.495 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.423 ' O ' ' OE2' ' A' ' 38' ' ' GLU . 0.2 OUTLIER -146.72 129.76 16.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.35 179.939 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.6 t -98.57 132.72 43.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-O 121.034 0.445 . . . . 0.0 110.626 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.496 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 0.9 OUTLIER -134.39 121.23 20.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.362 179.799 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -82.79 141.39 32.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.492 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mp -102.04 143.1 32.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.606 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.51 100.77 3.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.611 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.474 ' C ' ' H ' ' A' ' 44' ' ' THR . 11.0 m120 48.14 57.45 6.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.655 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.79 -27.07 0.93 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.474 ' H ' ' C ' ' A' ' 42' ' ' ASN . 0.2 OUTLIER -74.51 103.76 4.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.824 0.345 . . . . 0.0 110.585 -179.959 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.2 m -76.24 143.59 40.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.505 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.1 t -136.27 98.44 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.575 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.4 pttm -75.08 135.13 41.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.493 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.3 mmt -82.33 144.61 30.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.551 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -84.39 -50.52 7.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.684 -179.9 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.62 68.96 4.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.951 179.578 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.408 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 11.5 t-80 -163.88 14.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.513 -179.213 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -100.6 127.96 46.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.642 -179.701 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -148.41 158.21 27.59 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.533 -1.027 . . . . 0.0 110.533 179.839 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.527 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 4.1 p90 -140.65 142.14 35.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.93 0.395 . . . . 0.0 110.846 -179.756 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.2 mt -127.91 178.49 6.14 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.511 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -144.15 155.72 44.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.4 179.859 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.473 ' OD1' ' N ' ' A' ' 58' ' ' GLN . 15.9 t30 -71.24 147.88 47.78 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.45 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.473 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 65.61 147.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.271 -179.801 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.422 ' N ' ' CD ' ' A' ' 58' ' ' GLN . . . -163.84 52.92 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.671 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 62' ' ' LEU . 44.5 mttt 43.89 -97.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.602 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.482 ' C ' ' H ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER 40.97 25.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.617 -179.939 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 60' ' ' LYS . 1.1 mt -51.26 -10.21 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.491 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.482 ' H ' ' C ' ' A' ' 61' ' ' ASN . 2.3 mm? -72.39 -50.97 22.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.449 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 86.4 m -102.21 -2.54 29.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.554 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.72 39.02 96.35 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.07 16.8 3.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.608 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.513 ' O ' ' NH1' ' A' ' 69' ' ' ARG . 33.0 p90 -102.94 161.68 13.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.588 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.41 -8.54 41.02 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.513 ' NH1' ' O ' ' A' ' 67' ' ' TYR . 21.4 mmt-85 -93.13 143.95 25.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.715 0.293 . . . . 0.0 110.594 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -74.93 152.38 38.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.699 -179.928 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.19 -27.24 13.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.404 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.434 ' OE2' ' SG ' ' A' ' 106' ' ' CYS . 39.3 mt-10 -63.75 -43.09 97.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.314 179.893 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 39.4 mt -66.69 -57.07 7.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.252 179.698 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -27.22 10.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.163 179.61 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.456 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 31.3 t80 -84.6 -40.16 17.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.379 179.784 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 tp -57.67 -21.1 38.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.472 179.832 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.04 -20.89 37.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.448 179.913 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.626 HD23 ' C ' ' A' ' 78' ' ' LEU . 0.4 OUTLIER -84.17 -33.65 24.16 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.2 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.585 ' N ' HD23 ' A' ' 78' ' ' LEU . 4.6 t -46.17 -59.75 4.46 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.31 -179.836 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 6.5 Cg_endo -49.75 -17.07 1.79 Allowed 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 121.89 1.727 . . . . 0.0 112.229 179.803 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 t -69.73 -30.42 68.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.569 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.557 ' N ' HD22 ' A' ' 82' ' ' LEU . 3.9 mm? -83.77 -39.4 20.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.471 179.695 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 58.45 41.01 23.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.702 -178.806 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.4 mt -38.66 107.23 0.06 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.52 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -41.61 105.28 0.39 Allowed Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.643 -179.711 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -48.11 -19.97 1.95 Allowed 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 121.829 1.686 . . . . 0.0 112.101 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.55 -88.73 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.644 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.607 ' H ' ' CD ' ' A' ' 88' ' ' GLN . 1.1 mp0 -63.58 167.5 5.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.437 -179.86 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.2 mm -84.95 158.13 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.507 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -139.62 177.97 7.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.759 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.496 ' NH1' ' OE1' ' A' ' 38' ' ' GLU . 41.7 ttp85 -156.86 108.81 2.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.527 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.4 t -93.61 118.65 39.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.138 179.565 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.416 ' OG1' ' OE1' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -93.95 122.16 36.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.557 -179.766 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.424 ' CH2' ' CG2' ' A' ' 110' ' ' VAL . 7.2 m0 -106.79 132.26 52.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.707 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.505 ' CG ' ' SG ' ' A' ' 161' ' ' CYS . 53.3 m-85 -125.92 103.14 7.6 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.614 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.37 143.7 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.776 -178.416 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.636 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 19.4 p -96.98 -33.69 11.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.099 179.388 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.811 ' HE1' HD11 ' A' ' 26' ' ' ILE . 7.6 m95 -111.85 136.66 50.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.265 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.03 157.7 1.37 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.916 -179.768 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.34 173.18 14.18 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 122.668 2.246 . . . . 0.0 112.215 179.5 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.629 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 1.8 p -103.49 -153.98 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.452 179.877 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.629 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.2 OUTLIER -36.88 113.02 0.22 Allowed 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.407 0.623 . . . . 0.0 109.932 179.466 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 108' ' ' GLY . 83.9 p -40.24 -24.9 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.907 -179.783 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.47 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.2 OUTLIER -86.1 -24.9 26.09 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.973 -179.109 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.4 -63.73 1.55 Allowed Glycine 0 CA--C 1.526 0.77 0 C-N-CA 120.32 -0.943 . . . . 0.0 110.874 -179.866 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 106' ' ' CYS . . . . . 0.434 ' SG ' ' OE2' ' A' ' 72' ' ' GLU . 2.1 m -78.87 -69.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.37 . . . . 0.0 111.052 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' A' ' 103' ' ' SER . . . -60.26 -22.4 63.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 -179.693 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -71.43 -63.05 3.21 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -46.97 -35.25 6.35 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.716 179.599 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.424 ' CG2' ' CH2' ' A' ' 94' ' ' TRP . 29.3 t -72.83 -56.22 10.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.325 179.522 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -49.09 -53.34 21.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.064 179.813 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.84 -42.07 64.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.135 179.682 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 117' ' ' ASN . 27.8 t80 -65.58 -32.61 74.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.693 179.859 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 mt -71.68 -58.91 3.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.728 -179.837 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -13.57 48.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.643 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -103.21 -26.74 12.87 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.658 179.718 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.623 ' O ' HG12 ' A' ' 120' ' ' VAL . 4.2 m120 -138.11 49.47 1.94 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.865 -179.867 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.2 t -60.95 4.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.31 -179.761 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.523 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.1 OUTLIER -75.58 2.04 12.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.012 0.434 . . . . 0.0 110.16 179.8 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.623 HG12 ' O ' ' A' ' 117' ' ' ASN . 7.7 p -128.86 147.36 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.251 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.03 110.44 21.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.359 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.489 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -92.07 112.18 24.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.5 -179.801 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.489 ' N ' HD13 ' A' ' 122' ' ' LEU . 23.5 mtt-85 -116.21 117.69 30.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.03 179.679 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 5.0 mt -105.19 135.94 41.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.078 -179.368 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -129.13 98.12 4.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.718 179.561 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -82.37 114.84 21.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.985 179.571 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.636 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -82.44 -37.41 25.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.687 -179.737 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.428 ' HE ' ' HA2' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -143.67 145.77 32.71 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.95 179.877 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.6 mt -101.54 110.17 27.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.41 179.833 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -154.96 114.7 3.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.709 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -152.92 -147.04 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.367 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -106.8 -64.38 1.19 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.65 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.47 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.2 OUTLIER -104.0 161.35 23.2 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.463 -179.91 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.481 ' C ' ' H ' ' A' ' 136' ' ' TYR . 41.4 Cg_endo -70.2 17.8 0.22 Allowed 'Trans proline' 0 C--N 1.31 -1.492 0 C-N-CA 122.559 2.172 . . . . 0.0 111.9 179.835 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.627 HD13 ' HA ' ' A' ' 102' ' ' PHE . 1.3 mt -53.97 -7.41 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.625 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.481 ' H ' ' C ' ' A' ' 134' ' ' PRO . 0.5 OUTLIER -61.13 -32.04 71.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.659 179.924 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -70.28 -62.13 1.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.518 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.472 ' HB3' HD23 ' A' ' 135' ' ' LEU . 27.5 tt0 -50.12 -23.62 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.348 179.868 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -75.02 -43.49 53.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.424 179.78 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.58 HD23 ' O ' ' A' ' 140' ' ' LEU . 0.8 OUTLIER -59.31 -30.74 68.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.254 179.74 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.72 -56.27 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.664 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -31.57 66.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.607 -179.852 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 40.7 tp -82.09 -40.94 21.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.468 -179.853 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.32 -38.31 58.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.518 179.898 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -64.33 -8.2 12.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.559 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -95.31 -13.45 24.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.623 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 97.7 -26.96 21.03 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -42.16 139.43 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.67 0.271 . . . . 0.0 110.637 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -93.68 112.64 24.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.638 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.34 109.88 30.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.554 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.69 161.91 36.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.554 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.52 ' N ' HD12 ' A' ' 152' ' ' ILE . 1.5 mp -82.21 137.9 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.462 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 22.5 mmm -41.42 125.26 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.7 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 67.4 p -106.78 152.87 23.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.562 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -41.79 -54.15 3.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.507 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.04 -60.14 3.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.506 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -53.17 -31.17 41.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.539 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.86 -61.37 2.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.516 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -42.27 -47.8 4.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.103 -179.799 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.598 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.58 -58.02 4.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.192 -179.432 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.598 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 7.9 t -54.23 -23.54 15.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.639 -179.78 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 162' ' ' TRP . . . . . 0.634 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 4.1 t-105 -72.09 -70.15 0.35 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.552 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 163' ' ' ASP . . . . . 0.634 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.6 OUTLIER -61.48 -36.28 80.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.889 0.376 . . . . 0.0 110.782 -179.736 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 94.3 m -59.18 -27.04 65.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.268 -179.586 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -121.34 15.69 11.35 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.533 -179.374 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.567 HG12 ' N ' ' A' ' 168' ' ' HIS . 63.2 t -130.05 138.98 52.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.894 0.378 . . . . 0.0 111.002 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -76.78 34.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.173 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.592 ' CD2' ' N ' ' A' ' 169' ' ' GLN . 21.1 p-80 -37.48 -44.04 0.63 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.547 -179.805 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 169' ' ' GLN . . . . . 0.592 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 8.9 mm100 40.58 21.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.923 179.881 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 170' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 168' ' ' HIS . . . 136.63 14.31 0.91 Allowed Glycine 0 CA--C 1.528 0.887 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.706 179.706 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.421 ' H ' ' HB2' ' A' ' 168' ' ' HIS . 1.2 m -125.26 81.05 64.12 Favored Pre-proline 0 C--N 1.332 -0.174 0 CA-C-O 120.697 0.284 . . . . 0.0 110.297 179.825 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -51.83 172.33 0.14 Allowed 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.712 2.275 . . . . 0.0 112.316 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -53.51 149.74 7.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.747 -179.881 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -113.96 87.13 12.22 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.717 -179.709 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -79.65 131.34 9.25 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 C-N-CA 122.096 1.864 . . . . 0.0 112.051 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 14.8 p90 -100.88 173.69 6.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.6 -179.875 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -77.0 93.0 3.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.519 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 148.15 -18.12 1.36 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.6 tp -47.0 -35.01 6.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 110.556 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -59.36 2.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.535 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -46.32 -53.53 10.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.648 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -55.9 -47.41 77.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.599 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.62 -36.95 72.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.589 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -68.58 -34.15 75.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.633 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -62.8 -65.21 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.593 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 186' ' ' LEU . . . . . 0.546 ' N ' HD12 ' A' ' 186' ' ' LEU . 10.4 mp -56.14 -45.6 79.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.568 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 49.0 m -55.85 -39.25 71.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.466 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -63.21 -36.65 93.71 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 10.2 ttt85 -60.23 -61.65 2.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.332 . . . . 0.0 110.496 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.7 tt -47.28 -47.38 25.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.563 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -50.7 -42.26 56.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.593 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -59.19 -52.0 67.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 193' ' ' ILE . . . . . 0.502 ' N ' HD12 ' A' ' 193' ' ' ILE . 1.7 mp -53.97 -49.89 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.446 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.8 mp -56.01 -35.75 67.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.564 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 195' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 196' ' ' ASN . 7.5 tp60 -69.25 -5.83 25.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.504 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 196' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 195' ' ' GLN . 2.2 t-20 51.87 101.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.617 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 41.7 79.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.59 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -47.29 -74.38 0.25 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.482 -179.877 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 46.36 89.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.583 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.36 -37.01 0.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.564 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.578 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -71.19 -43.82 13.22 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 4' ' ' SER . 32.1 Cg_exo -58.56 -169.09 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 122.464 2.11 . . . . 0.0 112.025 -179.871 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 60.9 121.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.608 -179.922 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.88 -60.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.509 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.95 178.14 46.86 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.937 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -73.12 157.79 50.13 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.843 2.362 . . . . 0.0 112.08 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 ptt-85 -150.66 176.32 11.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.641 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.71 ' C ' HD23 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -163.87 91.2 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.558 -179.931 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.872 HD23 ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -106.05 175.24 5.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.778 -179.754 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 35.6 mtm -60.5 165.32 3.8 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.54 -179.154 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.48 155.6 51.13 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.706 -179.381 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.428 ' O ' ' OG1' ' A' ' 19' ' ' THR . 74.1 Cg_exo -39.73 -55.54 1.63 Allowed 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 122.576 2.184 . . . . 0.0 112.435 179.704 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 -62.79 -54.31 40.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.272 -179.474 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.3 mm -48.5 -29.94 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.631 -179.565 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -81.1 -57.73 3.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.693 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.514 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -51.33 -49.1 62.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.495 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -63.86 -43.65 95.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.514 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.623 HD21 ' CB ' ' A' ' 32' ' ' TYR . 16.5 t30 -64.44 -23.61 67.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.506 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -118.5 15.33 13.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.421 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.514 ' N ' ' O ' ' A' ' 19' ' ' THR . 0.7 OUTLIER -56.64 108.17 0.46 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.657 -179.952 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -43.97 137.45 3.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.608 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.27 96.74 0.09 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 pt -140.31 171.59 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 110.595 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -158.95 61.54 0.31 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.526 ' O ' ' CZ2' ' A' ' 98' ' ' TRP . 0.1 OUTLIER -140.37 152.42 45.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.521 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -91.07 81.02 5.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.434 179.903 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.3 tttm -167.03 42.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.513 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.416 HG22 ' CG ' ' A' ' 57' ' ' ASN . 10.9 t -46.5 150.97 0.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.993 -179.837 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.623 ' CB ' HD21 ' A' ' 21' ' ' ASN . 1.2 m-85 -108.05 147.46 31.13 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.422 179.722 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.628 ' C ' HD23 ' A' ' 33' ' ' LEU . 5.6 tt -136.84 114.33 10.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.493 -179.889 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.523 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -105.32 110.46 22.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.229 179.59 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.56 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 5.7 p90 -101.08 134.41 44.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.065 -179.722 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 1.8 tm-20 -123.51 152.86 41.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.057 179.855 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.661 HG21 ' CE1' ' A' ' 51' ' ' HIS . 30.2 t -119.4 123.21 70.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.871 0.367 . . . . 0.0 110.767 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -133.39 121.89 22.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.425 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -98.11 144.84 27.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.61 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.57 HD11 ' HD3' ' A' ' 91' ' ' ARG . 22.8 mt -93.98 156.88 16.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.577 179.925 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -155.83 101.63 2.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.497 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 62.71 23.37 13.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.547 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 99.39 -6.85 59.58 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.5 m -91.61 124.38 35.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.763 0.316 . . . . 0.0 110.613 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.418 ' O ' ' OG ' ' A' ' 45' ' ' SER . 1.4 p -89.13 110.32 21.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.55 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 57.6 t -105.02 112.14 37.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.599 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -86.71 134.94 33.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.6 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.2 mtm -101.96 141.09 35.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.529 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.8 -50.28 6.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.574 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -79.25 53.25 1.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.449 179.856 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.661 ' CE1' HG21 ' A' ' 37' ' ' VAL . 37.0 t-80 -169.18 46.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.528 -179.873 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.44 170.84 21.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.689 -179.882 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -173.3 -170.8 37.29 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.826 -0.909 . . . . 0.0 110.826 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -151.97 139.66 19.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.808 0.337 . . . . 0.0 110.729 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mp -136.15 174.23 10.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.529 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.567 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -131.05 157.63 42.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.483 179.898 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.482 ' HB3' ' HB2' ' A' ' 71' ' ' ALA . 4.1 p-10 -78.27 -166.76 0.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.545 -179.912 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.504 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 7.1 tt0 78.9 -62.81 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.615 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 58' ' ' GLN . . . 70.09 -163.8 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.524 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -137.9 15.48 2.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.53 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -100.35 31.71 3.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.581 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.19 -29.79 31.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.625 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.8 pp -65.76 -16.32 63.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.571 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.457 ' O ' ' SG ' ' A' ' 64' ' ' CYS . 13.4 t -82.52 -12.78 57.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.537 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.66 49.18 1.85 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -143.7 18.78 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 0.0 110.574 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -42.27 140.27 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.559 179.947 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.82 55.2 0.94 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 -105.09 135.24 46.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.766 0.317 . . . . 0.0 110.598 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -87.41 163.45 16.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.605 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.482 ' HB2' ' HB3' ' A' ' 57' ' ' ASN . . . -82.02 -37.96 25.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.572 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -61.48 -42.32 98.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.584 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.0 mp -62.05 -60.01 4.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.221 179.8 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.92 -28.14 6.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.977 179.652 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.56 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 17.3 t80 -80.74 -38.23 29.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.323 179.757 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.1 tp -57.66 -22.88 48.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.007 179.678 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -67.25 -16.07 64.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.686 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.9 tt -93.72 -13.4 27.5 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.56 -178.953 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.542 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -60.22 -42.87 91.82 Favored Pre-proline 0 CA--C 1.533 0.307 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.256 -179.105 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 23.5 Cg_exo -60.31 -25.73 80.95 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.215 1.943 . . . . 0.0 112.031 179.811 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.73 -9.16 41.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.819 -179.931 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.519 HD22 ' NE2' ' A' ' 51' ' ' HIS . 8.5 mt -104.39 -49.56 3.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.481 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.5 49.76 8.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.722 179.752 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 53.6 mt -53.66 133.24 41.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.488 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.75 160.35 27.56 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.397 -179.818 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -70.08 -2.07 9.79 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.533 2.156 . . . . 0.0 112.269 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.61 -37.99 1.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.588 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -151.98 -166.91 2.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.592 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.4 mt -99.55 155.98 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.062 0.458 . . . . 0.0 110.796 -179.859 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -137.01 154.06 50.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.726 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.57 ' HD3' HD11 ' A' ' 40' ' ' LEU . 25.3 mtm180 -142.66 106.06 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.65 -179.872 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.7 t -89.1 127.17 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.049 179.568 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.0 119.23 37.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.794 -179.715 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.537 ' CD1' HD21 ' A' ' 122' ' ' LEU . 16.4 m0 -100.35 131.71 46.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.057 0.456 . . . . 0.0 110.535 179.891 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -123.38 103.11 8.28 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.638 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.32 142.23 23.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.673 -178.343 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.584 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 0.3 OUTLIER -87.94 -24.21 23.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.698 179.105 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.526 ' CZ2' ' O ' ' A' ' 28' ' ' ARG . 19.4 m95 -112.24 -178.32 3.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.191 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.622 ' HB3' HG23 ' A' ' 129' ' ' ILE . 0.0 OUTLIER -105.97 164.4 15.06 Favored Pre-proline 0 C--N 1.332 -0.178 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.548 179.95 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.43 ' O ' ' O ' ' A' ' 99' ' ' SER . 57.0 Cg_exo -42.45 172.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 122.605 2.203 . . . . 0.0 112.3 179.601 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -126.08 -50.95 1.55 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.402 179.837 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 105' ' ' GLY . 2.1 t80 -139.36 105.49 5.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.118 179.656 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.885 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 36.8 t -42.08 -33.71 0.62 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.974 -179.578 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -84.78 -22.99 29.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.102 -179.612 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -84.76 -62.2 1.71 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -67.04 0.54 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.714 0.292 . . . . 0.0 110.743 -179.883 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.885 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -53.27 -29.19 31.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.694 -179.868 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.49 -60.97 7.6 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 105' ' ' GLY . 2.0 mp0 -51.98 -59.75 3.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.836 0.351 . . . . 0.0 110.576 -179.932 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 40.7 t -52.46 -55.6 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.675 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 53.2 ttt-85 -42.33 -59.07 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.573 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -44.94 -47.03 11.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.553 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 117' ' ' ASN . 1.1 t80 -55.54 -62.36 1.73 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.604 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 62.9 mt -46.37 -50.24 16.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.741 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -46.66 -43.42 17.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.688 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.13 16.92 21.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.921 -179.888 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' A' ' 113' ' ' PHE . 29.2 m120 -148.22 31.1 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.803 179.878 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -45.68 -22.93 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.607 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.692 ' CD2' HG23 ' A' ' 120' ' ' VAL . 0.0 OUTLIER -76.23 8.91 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.991 0.424 . . . . 0.0 110.38 179.812 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.692 HG23 ' CD2' ' A' ' 119' ' ' HIS . 43.1 t -132.09 116.43 29.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.428 179.833 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.3 147.07 23.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.549 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.537 HD21 ' CD1' ' A' ' 94' ' ' TRP . 0.6 OUTLIER -130.38 112.59 13.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.979 -179.701 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.502 ' C ' HD12 ' A' ' 124' ' ' ILE . 0.1 OUTLIER -95.61 123.2 39.05 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.241 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.502 HD12 ' C ' ' A' ' 123' ' ' ARG . 1.6 mp -104.92 129.03 58.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.828 -179.29 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.52 ' CE1' ' OE1' ' A' ' 157' ' ' GLU . 64.8 m-85 -125.37 108.13 11.37 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.907 179.783 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -93.79 109.49 21.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.077 179.418 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.584 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -76.97 -54.21 6.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.042 -179.562 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.62 ' CA ' ' HE ' ' A' ' 128' ' ' ARG . 0.0 OUTLIER -118.87 164.37 15.53 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.882 0.372 . . . . 0.0 110.73 -179.881 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.622 HG23 ' HB3' ' A' ' 99' ' ' SER . 18.1 mt -137.89 112.68 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.613 -179.88 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -151.95 110.08 3.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.632 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.426 ' OD2' ' O ' ' A' ' 133' ' ' ASP . 12.4 p-10 -172.36 142.3 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.591 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -80.41 10.17 4.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.477 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.503 ' C ' ' H ' ' A' ' 135' ' ' LEU . 1.0 OUTLIER -121.07 81.93 36.44 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.497 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.524 ' O ' ' N ' ' A' ' 136' ' ' TYR . 52.0 Cg_exo -51.45 -4.76 0.1 OUTLIER 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 122.502 2.135 . . . . 0.0 112.325 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.503 ' H ' ' C ' ' A' ' 133' ' ' ASP . 2.6 mt -40.43 -22.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.677 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' A' ' 134' ' ' PRO . 0.0 OUTLIER -42.99 -33.45 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.584 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -56.06 -62.13 1.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.455 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -50.92 -32.67 21.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.275 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 136' ' ' TYR . . . -65.47 -41.0 93.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.431 179.854 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 140' ' ' LEU . 1.0 OUTLIER -57.72 -47.1 83.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.413 179.78 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.98 -41.39 64.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.542 179.89 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.0 -31.41 71.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.461 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.9 mt -69.68 -56.94 5.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.634 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 16.3 mtp85 -45.16 -50.59 11.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.577 -179.833 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -52.88 -33.25 49.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.583 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.84 -17.92 60.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.613 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 100.42 -23.66 35.01 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -52.62 155.98 2.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.331 . . . . 0.0 110.668 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -98.9 135.81 39.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.496 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 3.2 t -126.77 123.56 63.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.589 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.15 162.01 41.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.581 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 3.3 mm -89.8 134.06 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.495 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.551 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 9.3 ttt -54.32 118.73 4.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.603 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 29.5 p -102.02 163.81 12.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.67 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -47.08 -47.99 22.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.644 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -53.32 -56.84 13.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.513 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.52 ' OE1' ' CE1' ' A' ' 125' ' ' PHE . 22.4 mt-10 -54.29 -35.23 62.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.562 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.551 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.7 OUTLIER -63.82 -39.93 95.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.526 179.916 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -59.0 -49.59 77.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.523 ' CD2' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.63 -51.15 37.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.508 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.523 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 7.4 t -58.71 -23.53 59.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.682 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 162' ' ' TRP . . . . . 0.63 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 3.6 t-105 -72.46 -68.21 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.684 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 163' ' ' ASP . . . . . 0.63 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 1.3 p30 -64.34 -14.15 54.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.268 -179.465 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 99.9 m -86.61 -24.36 25.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.422 -179.396 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -121.08 15.96 11.58 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.551 0.215 . . . . 0.0 111.202 -179.588 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.528 ' C ' ' H ' ' A' ' 168' ' ' HIS . 92.1 t -134.46 127.47 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.748 179.44 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 167' ' ' ASP . . . . . 0.488 ' C ' ' H ' ' A' ' 169' ' ' GLN . 14.2 t70 -70.21 41.97 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.896 179.102 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.603 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.4 OUTLIER -54.12 -8.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.224 -179.953 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 169' ' ' GLN . . . . . 0.488 ' H ' ' C ' ' A' ' 167' ' ' ASP . 2.6 mt-30 56.9 3.64 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.821 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 170' ' ' GLY . . . . . 0.603 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 124.52 28.3 1.2 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 179.681 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.541 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.0 OUTLIER -109.64 127.71 26.69 Favored Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.764 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -75.96 171.99 17.12 Favored 'Trans proline' 0 N--CA 1.493 1.47 0 C-N-CA 121.802 1.668 . . . . 0.0 112.162 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.5 ' O ' ' CD2' ' A' ' 173' ' ' PHE . 0.4 OUTLIER -126.45 116.71 21.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.423 179.867 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.402 ' O ' ' CE1' ' A' ' 173' ' ' PHE . 12.3 mm-40 -82.77 152.73 66.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.23 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.13 155.78 63.93 Favored 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 122.142 1.895 . . . . 0.0 112.081 179.903 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 176' ' ' TRP . . . . . 0.462 ' O ' ' N ' ' A' ' 178' ' ' GLY . 14.8 p90 -100.0 142.8 30.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.552 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -49.59 91.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.533 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 176' ' ' TRP . . . 156.66 -35.46 0.58 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 179' ' ' LEU . . . . . 0.566 HD23 ' O ' ' A' ' 179' ' ' LEU . 1.0 OUTLIER -42.7 -43.28 3.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 110.514 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -55.38 -57.05 13.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.536 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -65.41 -60.64 2.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.488 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -44.37 -43.74 7.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.524 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 27.3 t -55.99 -51.55 67.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.67 -30.02 67.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.507 179.914 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -75.15 -64.91 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.511 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 4.0 mt -57.55 -59.99 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.498 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 3.6 t -52.9 -53.06 54.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.443 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -54.05 -25.66 32.26 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -68.87 -61.58 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 110.502 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.7 tp -55.47 -21.7 17.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.567 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -76.91 -40.02 48.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.609 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -68.21 -55.14 13.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.514 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 193' ' ' ILE . . . . . 0.456 HG23 ' N ' ' A' ' 194' ' ' LEU . 5.9 tt -56.99 -39.22 64.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.547 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 196' ' ' ASN . 1.8 tp -96.65 14.14 25.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.535 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 62.12 -71.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.593 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 196' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 194' ' ' LEU . 0.7 OUTLIER -149.39 155.82 41.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.543 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.91 15.18 6.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.583 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -141.75 81.39 0.24 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 11.9 m120 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.596 179.998 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 mmt . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -160.83 -171.76 3.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.57 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 53.0 97.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.615 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.569 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -88.06 -43.83 0.48 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.919 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 4' ' ' SER . 28.7 Cg_exo -58.84 158.01 26.26 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.44 2.093 . . . . 0.0 111.973 -179.815 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.4 ' H ' ' H ' ' A' ' 7' ' ' SER . . . -175.42 -15.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.611 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.4 ' H ' ' H ' ' A' ' 6' ' ' ALA . 19.0 p 57.01 -145.7 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.551 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.32 -176.66 26.34 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -49.4 144.33 18.36 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.772 2.315 . . . . 0.0 112.145 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.451 ' C ' ' CG ' ' A' ' 11' ' ' HIS . 9.5 mmt85 -96.83 -117.52 0.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.514 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.451 ' CG ' ' C ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -152.28 34.33 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.695 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.506 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 6.9 mp -94.69 168.8 10.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.247 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.2 mtm -63.29 132.91 53.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.106 179.555 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.63 144.0 66.37 Favored Pre-proline 0 CA--C 1.536 0.412 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.43 -179.428 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.401 ' O ' ' OG1' ' A' ' 19' ' ' THR . 72.1 Cg_exo -40.42 -55.13 2.0 Allowed 'Trans proline' 0 N--CA 1.491 1.354 0 C-N-CA 122.151 1.901 . . . . 0.0 112.284 179.684 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -58.57 -50.98 71.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.997 -179.561 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.3 mm -48.93 -55.33 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.679 -179.754 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 28.7 t80 -51.23 -57.68 8.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.618 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -55.35 -64.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.73 -179.729 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.44 -28.04 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.749 -179.843 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.429 ' OD1' ' CD1' ' A' ' 32' ' ' TYR . 2.9 t30 -83.19 -36.18 24.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.616 -179.901 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -100.76 16.76 23.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.618 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.427 ' N ' ' O ' ' A' ' 19' ' ' THR . 22.3 p-10 -63.6 101.15 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.556 179.915 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -41.35 132.48 2.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.587 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.43 25.89 7.15 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.08 177.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.809 0.337 . . . . 0.0 110.611 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.409 ' H ' ' CD ' ' A' ' 28' ' ' ARG . . . 166.7 56.62 0.03 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.793 ' H ' ' HE ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -155.64 150.11 26.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.647 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -56.58 82.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.538 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 28' ' ' ARG . 1.9 ttpt -157.1 26.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.589 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.82 HG22 ' CD2' ' A' ' 98' ' ' TRP . 11.1 p -47.16 135.38 10.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.76 -179.905 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.429 ' CD1' ' OD1' ' A' ' 21' ' ' ASN . 2.7 m-85 -108.56 144.97 35.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.668 179.878 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 34' ' ' CYS . 10.0 tp -139.73 112.19 7.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.326 -179.933 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.404 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -108.39 122.92 47.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.293 179.635 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.495 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 14.7 p90 -113.05 137.7 51.03 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.805 -179.653 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -123.11 154.95 37.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.473 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.641 HG21 ' CE1' ' A' ' 51' ' ' HIS . 54.7 t -127.63 122.03 58.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 179.862 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.759 ' OE2' HD12 ' A' ' 40' ' ' LEU . 3.1 tm-20 -131.55 132.59 44.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.351 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.427 ' O ' ' OE2' ' A' ' 38' ' ' GLU . 55.5 ttp180 -87.94 132.7 34.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.716 -179.729 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.759 HD12 ' OE2' ' A' ' 38' ' ' GLU . 1.2 mp -88.42 122.71 32.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.426 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.69 106.13 5.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.608 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.479 ' C ' ' H ' ' A' ' 44' ' ' THR . 88.8 m-20 49.16 52.12 14.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.69 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.17 -27.02 1.0 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.479 ' H ' ' C ' ' A' ' 42' ' ' ASN . 1.2 m -72.38 115.27 11.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.761 0.315 . . . . 0.0 110.461 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.92 111.27 23.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 46' ' ' VAL . 25.1 m -101.58 105.48 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.546 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -74.53 140.4 44.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.513 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.2 mmt -89.68 150.74 22.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.619 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -93.93 -50.15 5.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.547 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -103.1 76.33 1.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.458 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.641 ' CE1' HG21 ' A' ' 37' ' ' VAL . 55.1 t-80 -171.52 -3.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.516 -179.879 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.416 ' H ' ' H ' ' A' ' 51' ' ' HIS . 8.8 ptt180 -101.66 170.8 7.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.53 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -171.78 -178.46 42.12 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.502 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 8.1 p90 -152.14 146.18 25.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 0.0 110.749 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mp -133.67 178.41 6.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.458 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.629 ' C ' ' HB2' ' A' ' 71' ' ' ALA . 3.3 p80 -146.5 147.23 30.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.706 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.485 ' N ' ' HB2' ' A' ' 71' ' ' ALA . 6.9 m-20 -40.3 151.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.636 -179.905 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -108.96 99.44 8.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.528 179.913 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -102.42 127.39 49.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.503 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.84 -66.0 1.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.611 -179.877 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 63.66 23.7 13.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.1 mp -86.97 -58.13 2.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -89.47 -51.22 5.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.429 -179.529 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.491 ' C ' ' H ' ' A' ' 66' ' ' PHE . 2.2 t -82.21 -2.08 51.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.005 -179.281 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.68 -4.25 1.61 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.491 ' H ' ' C ' ' A' ' 64' ' ' CYS . 5.5 t80 -168.1 34.46 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.758 0.313 . . . . 0.0 110.807 179.919 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -87.7 111.97 21.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.487 -179.971 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.91 150.4 21.17 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.05 145.45 51.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.836 0.35 . . . . 0.0 110.714 -179.845 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.478 ' NE2' HD12 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -64.43 135.04 55.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.782 179.889 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.629 ' HB2' ' C ' ' A' ' 56' ' ' HIS . . . -64.24 -31.03 72.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.633 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.434 ' OE1' ' SG ' ' A' ' 101' ' ' CYS . 15.5 mt-10 -42.39 -37.87 1.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.071 -179.684 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.478 HD12 ' NE2' ' A' ' 70' ' ' HIS . 1.1 mt -64.92 -55.81 17.04 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.385 -179.761 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -44.18 -42.59 6.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.403 -179.912 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.495 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 56.2 t80 -58.37 -56.27 24.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.126 179.704 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -53.94 -19.92 5.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.37 179.533 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.14 -46.76 27.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.588 -179.357 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 pp -84.85 -9.12 58.45 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.873 -179.59 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.421 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 2.6 t -55.97 -55.91 36.24 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.234 179.746 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 20.3 Cg_endo -61.45 -17.59 54.48 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 121.471 1.448 . . . . 0.0 111.913 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.4 p -64.86 -13.68 57.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.684 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.509 HD22 ' NE2' ' A' ' 51' ' ' HIS . 12.2 mt -82.37 -20.7 36.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.445 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.76 35.73 0.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 179.75 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.0 mt -60.22 149.55 32.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.379 179.848 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.01 162.71 52.55 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.571 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.85 -6.14 18.51 Favored 'Trans proline' 0 N--CA 1.493 1.5 0 C-N-CA 122.548 2.165 . . . . 0.0 112.008 179.832 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.01 -74.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.592 -179.854 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -106.77 167.4 9.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.557 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.3 mm -89.17 155.27 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.668 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -141.34 168.13 20.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.62 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -132.6 112.34 11.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.573 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.425 ' HB ' HD22 ' A' ' 122' ' ' LEU . 94.1 t -96.36 113.24 30.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.268 179.846 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.4 m -104.53 119.75 39.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.782 -179.819 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 27.6 m0 -100.61 131.07 46.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.002 0.43 . . . . 0.0 110.506 179.733 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.487 ' CG ' ' SG ' ' A' ' 161' ' ' CYS . 4.9 m-85 -118.58 103.14 9.44 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.308 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.42 140.94 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.76 -177.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.629 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 2.8 p -92.44 -22.79 19.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.93 179.106 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.82 ' CD2' HG22 ' A' ' 31' ' ' THR . 12.8 m95 -111.05 152.41 26.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.488 -179.628 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.675 ' OG ' HG23 ' A' ' 129' ' ' ILE . 0.6 OUTLIER -60.64 160.64 18.04 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.47 179.932 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -67.82 129.11 19.07 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.401 2.067 . . . . 0.0 112.175 179.788 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.541 ' O ' ' N ' ' A' ' 103' ' ' SER . 0.5 OUTLIER -79.79 -164.04 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.272 179.932 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.507 ' O ' ' N ' ' A' ' 104' ' ' TRP . 0.1 OUTLIER -40.24 91.91 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 121.464 0.65 . . . . 0.0 110.008 -179.829 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.868 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 0.6 OUTLIER -39.42 -23.87 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.041 -179.403 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.507 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -69.11 -35.54 76.55 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.585 -178.742 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -71.24 -62.45 3.5 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 120.302 -0.952 . . . . 0.0 110.841 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.53 -68.44 0.62 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.521 0.201 . . . . 0.0 111.472 -179.628 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.868 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -49.08 -32.78 10.32 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.27 -179.213 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.34 -62.95 4.04 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.472 ' OE2' HD21 ' A' ' 73' ' ' LEU . 3.1 mm-40 -53.65 -34.27 58.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.978 0.418 . . . . 0.0 110.019 179.7 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 69.8 t -71.07 -46.34 67.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.217 179.563 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -49.75 -59.12 4.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.949 179.732 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.54 -40.7 62.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.106 179.614 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.53 ' O ' ' ND2' ' A' ' 117' ' ' ASN . 7.9 t80 -54.17 -56.07 21.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.305 179.731 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.7 mp -59.89 -48.95 79.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.429 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -46.7 -29.29 1.82 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.17 179.823 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -110.36 -9.29 14.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.994 -179.837 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.576 ' O ' HG22 ' A' ' 120' ' ' VAL . 13.3 m-80 -139.83 47.57 1.83 Allowed 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.008 -179.725 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.18 1.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.868 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.459 ' H ' ' C ' ' A' ' 117' ' ' ASN . 5.4 p80 -84.36 15.72 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.616 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 117' ' ' ASN . 5.2 m -136.63 143.83 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.539 179.685 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.72 148.6 22.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.169 179.944 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.425 HD22 ' HB ' ' A' ' 92' ' ' VAL . 0.2 OUTLIER -130.73 112.53 13.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.579 -179.664 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.494 ' NH1' ' OE1' ' A' ' 149' ' ' GLN . 4.5 mtm-85 -115.17 128.87 56.46 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.335 179.815 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 37.8 mm -105.76 125.39 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.967 -179.605 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -120.48 103.45 9.19 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.549 179.213 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -93.58 110.13 21.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.244 179.759 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.629 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -80.86 -55.79 4.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.874 -179.722 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.632 ' CA ' ' HE ' ' A' ' 128' ' ' ARG . 0.0 OUTLIER -118.98 151.67 37.76 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.771 0.319 . . . . 0.0 110.517 -179.944 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.675 HG23 ' OG ' ' A' ' 99' ' ' SER . 51.5 mt -114.13 109.1 27.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.607 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -142.42 115.45 8.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.507 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -169.06 158.21 8.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.605 -179.887 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.18 -24.04 32.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.522 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 135' ' ' LEU . 0.7 OUTLIER -135.02 73.31 66.04 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.389 179.942 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -49.82 77.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 123.002 2.468 . . . . 0.0 112.541 -179.85 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 133' ' ' ASP . 1.4 pp -93.22 4.83 53.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.385 179.747 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.512 ' CG ' ' N ' ' A' ' 137' ' ' LYS . 25.1 p90 -44.52 -46.18 9.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.564 -179.799 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.512 ' N ' ' CG ' ' A' ' 136' ' ' TYR . 0.8 OUTLIER -42.4 -42.81 3.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 0.0 110.182 179.82 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.07 -39.78 75.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.445 179.761 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.27 -45.24 94.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.538 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.523 ' HG ' HG21 ' A' ' 150' ' ' VAL . 7.7 mp -55.3 -55.03 36.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.494 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -64.9 -58.46 6.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.577 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -34.98 12.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.645 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.527 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 40.6 tp -81.43 -34.16 31.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.493 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 12.1 ttp85 -51.62 -40.96 60.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.518 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -71.16 3.5 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.619 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 143' ' ' LEU . . . -99.36 -24.07 14.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.659 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 97.62 24.83 11.49 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.479 ' HB3' ' HG ' ' A' ' 143' ' ' LEU . . . -97.63 177.18 5.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.681 0.277 . . . . 0.0 110.582 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 149' ' ' GLN . . . . . 0.494 ' OE1' ' NH1' ' A' ' 123' ' ' ARG . 11.0 mt-30 -123.1 136.2 54.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.54 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 150' ' ' VAL . . . . . 0.523 HG21 ' HG ' ' A' ' 140' ' ' LEU . 23.0 m -132.03 128.7 59.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.639 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.5 t -153.27 162.04 41.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.547 179.904 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.1 tp -88.29 142.45 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.438 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.586 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 35.4 ttm -44.2 151.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.575 -179.913 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 6.0 p -132.31 171.17 14.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.579 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -64.63 -53.55 45.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.666 -179.912 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -51.54 -49.16 62.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.501 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -61.13 -36.24 79.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.645 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.586 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.1 OUTLIER -56.87 -40.98 77.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.715 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.87 -42.71 80.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.825 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.489 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.5 OUTLIER -67.49 -57.93 5.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.702 -179.913 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.489 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 1.2 t -56.32 -23.59 38.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.906 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 162' ' ' TRP . . . . . 0.621 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.4 t-105 -71.76 -70.42 0.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.939 -179.62 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 163' ' ' ASP . . . . . 0.621 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.2 OUTLIER -61.86 -14.4 33.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.277 -179.52 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 96.8 m -83.47 -28.22 28.9 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.21 -179.533 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -121.07 18.67 11.65 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.129 -179.619 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.62 HG21 ' CE3' ' A' ' 162' ' ' TRP . 74.9 t -130.58 145.65 35.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.951 179.665 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -73.27 35.48 0.08 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 178.701 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.717 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 1.1 t60 -43.38 -60.45 1.71 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.947 -179.849 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 169' ' ' GLN . . . . . 0.627 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 25.8 mt-30 42.67 15.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.08 179.633 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 170' ' ' GLY . . . . . 0.717 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 143.54 0.9 1.09 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 179.88 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.62 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 0.9 OUTLIER -113.69 88.54 13.95 Favored Pre-proline 0 CA--C 1.533 0.295 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.797 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -78.59 143.92 19.43 Favored 'Trans proline' 0 C--N 1.314 -1.276 0 C-N-CA 122.074 1.849 . . . . 0.0 112.407 -179.205 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.507 ' CE1' ' O ' ' A' ' 174' ' ' GLN . 1.1 t80 -86.07 125.85 33.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.622 -179.891 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.507 ' O ' ' CE1' ' A' ' 173' ' ' PHE . 22.4 mt-30 -93.91 156.31 39.41 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -70.06 162.9 40.48 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.324 2.016 . . . . 0.0 112.127 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 176' ' ' TRP . . . . . 0.434 ' CD1' ' C ' ' A' ' 176' ' ' TRP . 12.3 p90 -120.5 152.93 37.36 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.41 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 177' ' ' ASP . . . . . 0.5 ' N ' ' OD1' ' A' ' 177' ' ' ASP . 0.8 OUTLIER -57.84 91.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.506 -179.942 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 139.27 -14.12 3.26 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.2 tt -54.11 -37.7 64.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.32 . . . . 0.0 110.585 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.94 -57.31 3.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.619 -179.89 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -50.41 -50.51 51.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.644 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -54.8 -62.97 1.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.628 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 3.4 m -49.07 -45.6 43.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.572 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -62.65 -31.61 72.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.621 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -70.32 -65.1 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.581 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 2.6 mt -47.34 -48.29 25.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.589 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 10.8 p -53.37 -50.75 64.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.624 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -50.01 -41.95 38.28 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 189' ' ' ARG . . . . . 0.49 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 0.0 OUTLIER -61.82 -61.56 2.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.546 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.1 tp -49.34 -51.22 35.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.459 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 13.3 mmt85 -51.47 -34.15 34.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.44 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 192' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -63.08 -48.84 76.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.479 179.903 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 193' ' ' ILE . . . . . 0.525 ' N ' HD12 ' A' ' 193' ' ' ILE . 1.7 mp -60.17 -36.81 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.476 179.915 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 5.0 mt -64.8 -22.65 67.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.568 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 49.19 44.86 23.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 196' ' ' ASN . . . . . 0.505 ' N ' ' OD1' ' A' ' 196' ' ' ASN . 1.1 m-20 57.5 163.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.551 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -71.04 -51.77 23.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.549 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -85.0 154.41 29.08 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.574 -179.991 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -77.14 112.36 13.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.619 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 4' ' ' SER . . . -88.98 -29.89 19.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.494 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 3' ' ' ALA . 0.3 OUTLIER 55.85 162.83 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.572 -179.947 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -70.77 -166.18 0.21 Allowed 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.593 2.195 . . . . 0.0 112.062 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.76 129.09 12.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.646 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.03 159.6 14.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.499 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.407 ' H ' ' HD2' ' A' ' 9' ' ' PRO . . . -137.81 -71.44 0.05 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.882 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.407 ' HD2' ' H ' ' A' ' 8' ' ' GLY . 55.9 Cg_endo -72.29 76.51 2.21 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.797 2.331 . . . . 0.0 112.138 -179.844 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' HB2' HD21 ' A' ' 12' ' ' LEU . 8.6 mmt180 -137.88 -171.87 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.596 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.668 ' C ' HD23 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -132.59 87.06 2.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.402 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.896 HD23 ' N ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -104.34 173.21 6.4 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -179.636 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.3 ptp -61.9 162.89 8.34 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.363 -179.294 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.79 157.57 60.42 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.312 -178.843 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.437 ' O ' ' OG1' ' A' ' 19' ' ' THR . 53.5 Cg_exo -44.04 -56.42 2.49 Favored 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 122.564 2.176 . . . . 0.0 112.72 179.568 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -52.02 60.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.082 -179.263 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.2 mm -48.79 -42.95 13.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.624 -179.714 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -70.95 -60.92 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -47.92 -57.96 5.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.422 -179.933 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.427 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 2.2 t -52.1 -36.24 50.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.479 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.623 ' ND2' ' CG ' ' A' ' 32' ' ' TYR . 9.0 t30 -80.66 -9.1 59.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.533 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -133.23 24.52 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.682 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.507 ' N ' ' O ' ' A' ' 19' ' ' THR . 14.8 p-10 -65.09 109.78 2.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.506 179.887 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -42.34 128.06 3.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.514 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.66 108.48 0.54 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -147.12 -166.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 110.637 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -177.59 -14.79 0.02 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.456 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 0.0 OUTLIER -176.36 120.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 0.0 110.578 179.949 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.456 ' CG ' ' O ' ' A' ' 28' ' ' ARG . 12.4 m80 -164.47 -82.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.505 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -179.74 104.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.519 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.752 HG22 ' CG ' ' A' ' 98' ' ' TRP . 35.6 p -47.17 139.89 5.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.878 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.623 ' CG ' ' ND2' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -120.6 149.09 43.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.403 179.908 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.0 tp -143.27 111.84 6.38 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.659 -179.801 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.21 115.72 31.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.998 179.271 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.425 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 28.9 p90 -108.64 148.9 29.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.002 0.43 . . . . 0.0 111.276 -179.316 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -135.95 160.04 39.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.1 179.403 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.736 HG21 ' ND1' ' A' ' 51' ' ' HIS . 11.6 t -126.71 126.45 68.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.571 -179.891 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -139.61 134.05 31.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.695 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -103.05 142.13 34.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.331 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 mp -101.23 140.57 35.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.714 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -146.44 100.46 3.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.467 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.5 m120 57.36 35.39 25.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.549 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.47 -5.67 82.49 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.3 m -90.91 102.53 15.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.765 0.316 . . . . 0.0 110.585 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 75.0 m -89.5 107.45 19.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.594 179.935 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 40.7 t -100.13 125.06 53.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.643 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.33 137.8 32.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.494 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.8 mtm -101.4 136.05 41.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.702 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.21 -50.35 8.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.608 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.66 65.91 9.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.352 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.852 ' HE2' HD22 ' A' ' 82' ' ' LEU . 5.0 t-80 -170.29 -9.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.437 -179.623 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.2 170.94 7.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.746 -179.88 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.425 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . 179.71 -172.24 43.93 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 11.3 p90 -147.5 142.41 26.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.788 0.328 . . . . 0.0 110.786 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.7 mt -128.47 178.44 6.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.517 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -149.33 161.82 41.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.504 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.44 ' O ' ' CB ' ' A' ' 58' ' ' GLN . 4.5 t30 -68.19 157.18 35.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.611 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.44 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 22.7 tp60 76.65 -64.79 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.573 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 53.3 173.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.5 mtpp -103.63 68.89 0.95 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.626 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.449 ' ND2' HH12 ' A' ' 74' ' ' ARG . 3.9 m120 -137.19 60.18 1.66 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.617 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -86.32 9.41 17.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.553 179.908 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.428 ' N ' HD12 ' A' ' 62' ' ' LEU . 4.0 mp -48.34 -50.89 28.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.535 -179.939 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.93 4.97 22.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.563 179.942 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.488 ' C ' ' H ' ' A' ' 67' ' ' TYR . . . 86.47 33.04 14.46 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.72 19.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.71 0.29 . . . . 0.0 110.585 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.488 ' H ' ' C ' ' A' ' 65' ' ' GLY . 2.6 m-85 -76.25 132.44 39.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.683 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.47 7.31 30.26 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.502 ' HE ' HD12 ' A' ' 73' ' ' LEU . 4.7 mmp_? -95.69 145.2 25.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 0.0 110.528 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.404 ' ND1' ' N ' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -81.19 155.63 26.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.553 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.56 -28.96 67.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.433 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -62.33 -50.48 71.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.612 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.502 HD12 ' HE ' ' A' ' 69' ' ' ARG . 22.5 mt -63.7 -51.82 63.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.585 -179.921 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.449 HH12 ' ND2' ' A' ' 61' ' ' ASN . 39.8 ttt85 -55.2 -36.22 65.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.666 -179.922 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -70.91 -50.64 32.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.715 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.6 tp -64.59 -19.73 65.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -33.15 69.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.289 -179.495 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.664 ' C ' HD12 ' A' ' 78' ' ' LEU . 3.7 pp -101.39 8.06 42.39 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.921 -0.311 . . . . 0.0 111.046 -179.597 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.569 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -63.58 -41.58 67.04 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.808 179.854 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 27.4 Cg_exo -59.08 -17.69 39.62 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.212 1.941 . . . . 0.0 111.774 179.877 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.4 p -62.56 -9.01 7.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.675 -179.901 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.852 HD22 ' HE2' ' A' ' 51' ' ' HIS . 20.3 mt -95.26 -46.16 6.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.287 -179.824 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 72.36 47.5 0.27 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.705 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.402 HD13 ' CD2' ' A' ' 90' ' ' TYR . 17.2 mt -64.6 127.71 32.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.314 179.714 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.31 160.48 27.43 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.634 -179.777 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -71.51 -11.97 28.84 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.611 2.208 . . . . 0.0 112.09 179.832 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.82 -35.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.616 -179.871 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -138.5 171.39 14.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.481 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.737 ' N ' HD12 ' A' ' 89' ' ' ILE . 1.7 mp -90.19 147.21 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.419 179.929 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.402 ' CD2' HD13 ' A' ' 84' ' ' LEU . 36.3 m-85 -124.37 156.72 36.57 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.51 179.904 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -146.55 102.07 3.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.538 -179.853 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.3 t -92.68 133.42 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.459 179.932 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.56 117.8 34.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.571 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.571 ' CD1' HD21 ' A' ' 122' ' ' LEU . 17.8 m0 -100.19 132.61 45.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.062 0.458 . . . . 0.0 110.414 179.838 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.582 ' CE2' ' SG ' ' A' ' 161' ' ' CYS . 49.7 m-85 -126.0 103.02 7.52 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 178.555 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.08 143.21 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.086 -177.871 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.67 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 6.3 p -95.89 -26.96 15.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.473 178.889 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.752 ' CG ' HG22 ' A' ' 31' ' ' THR . 13.6 m95 -111.99 132.06 55.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.992 179.702 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.9 OUTLIER -57.34 141.73 77.27 Favored Pre-proline 0 CA--C 1.537 0.475 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.42 -179.559 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.423 ' O ' ' O ' ' A' ' 99' ' ' SER . 50.3 Cg_exo -43.27 173.06 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.387 0 C-N-CA 122.027 1.818 . . . . 0.0 112.384 179.733 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.572 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 26.3 p -107.04 -119.41 0.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.994 179.454 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.572 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.2 OUTLIER -70.19 108.54 4.19 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.87 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.712 ' OG ' ' HB2' ' A' ' 139' ' ' ALA . 71.7 m -40.74 -27.23 0.05 Allowed 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.159 -179.426 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.406 ' N ' ' O ' ' A' ' 102' ' ' PHE . 4.1 t90 -85.57 -23.83 27.47 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.783 -179.418 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.36 -63.15 1.59 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 179.784 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.43 -69.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.734 0.302 . . . . 0.0 111.018 -179.876 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -59.3 -42.12 90.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.845 -179.551 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -53.5 -45.01 67.52 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.868 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -69.43 -26.2 64.49 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.752 -179.926 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 66.6 t -81.97 -63.57 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.94 -36.0 7.15 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.658 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.73 -47.35 63.38 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.411 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -45.79 -39.7 8.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.022 179.401 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.458 ' C ' ' N ' ' A' ' 116' ' ' GLU . 10.4 mp -72.45 -51.15 21.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.143 179.562 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -46.74 -17.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.026 179.577 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.458 ' N ' ' C ' ' A' ' 114' ' ' LEU . 2.2 tp10 -106.82 -32.4 7.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.71 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.553 ' O ' HG12 ' A' ' 120' ' ' VAL . 8.9 m-80 -138.28 59.35 1.65 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.769 -179.788 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.35 1.55 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.055 -179.874 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.489 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -76.23 5.75 6.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.762 0.315 . . . . 0.0 110.638 -179.944 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 117' ' ' ASN . 13.1 p -130.94 132.08 63.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.547 179.791 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -91.6 144.0 25.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.4 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.571 HD21 ' CD1' ' A' ' 94' ' ' TRP . 0.8 OUTLIER -131.44 122.98 27.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.887 -179.833 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.455 ' C ' HD12 ' A' ' 124' ' ' ILE . 8.5 mtp85 -112.26 123.73 50.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.23 179.626 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.477 ' N ' HD12 ' A' ' 124' ' ' ILE . 1.7 mp -105.56 127.47 60.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.653 -179.609 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -121.52 98.22 5.87 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.604 179.786 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.51 111.82 11.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.248 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.67 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -85.39 -46.95 10.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.647 -179.801 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.491 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -132.14 142.02 49.34 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.845 0.355 . . . . 0.0 110.658 179.948 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.445 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 0.3 OUTLIER -98.41 132.89 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.529 179.944 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.445 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 0.2 OUTLIER 177.77 116.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.658 179.993 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.475 ' C ' ' H ' ' A' ' 133' ' ' ASP . 0.4 OUTLIER -177.94 136.32 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.511 179.948 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -70.32 10.1 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.527 179.911 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.501 ' C ' ' H ' ' A' ' 135' ' ' LEU . 21.6 m-20 -120.63 81.12 32.11 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.663 -179.932 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.505 ' C ' ' H ' ' A' ' 136' ' ' TYR . 51.8 Cg_exo -49.47 -6.69 0.07 OUTLIER 'Trans proline' 0 N--CA 1.493 1.468 0 C-N-CA 122.476 2.118 . . . . 0.0 112.273 -179.858 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.501 ' H ' ' C ' ' A' ' 133' ' ' ASP . 3.4 mp -54.9 -5.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.651 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.505 ' H ' ' C ' ' A' ' 134' ' ' PRO . 44.9 t80 -41.95 -32.32 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.894 0.378 . . . . 0.0 110.556 -179.922 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -68.46 -61.55 1.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.352 179.81 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -47.88 -30.29 4.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.389 179.732 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.712 ' HB2' ' OG ' ' A' ' 103' ' ' SER . . . -69.16 -46.76 66.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.306 179.881 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.0 tp -52.01 -40.35 60.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.381 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -77.79 -42.2 34.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.479 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.76 -27.21 62.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.503 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 146' ' ' ALA . 6.4 mt -81.39 -49.23 10.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.672 -179.899 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -45.34 -43.05 10.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.542 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -66.63 -23.44 66.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.526 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -82.51 -22.84 34.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.529 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 101.65 -15.5 57.12 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -58.26 156.02 10.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.855 0.36 . . . . 0.0 110.57 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -97.14 134.77 40.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.622 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -132.03 115.2 26.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.552 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.4 t -153.07 162.28 41.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.619 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.486 ' N ' HD12 ' A' ' 152' ' ' ILE . 1.6 mp -84.6 133.88 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.41 179.936 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.541 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 2.6 ttt -41.23 130.59 2.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.728 -179.845 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.28 164.56 11.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.642 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 155' ' ' TYR . . . . . 0.429 ' C ' ' CD1' ' A' ' 155' ' ' TYR . 29.4 t80 -52.9 -52.13 58.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.711 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.88 -61.04 2.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.759 -179.843 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -56.23 -48.47 76.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.705 -179.848 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.541 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 0.2 OUTLIER -41.49 -38.65 1.34 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.797 -179.873 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -74.54 -60.89 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.796 -179.614 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.434 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -47.3 -49.55 23.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.844 -179.73 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.582 ' SG ' ' CE2' ' A' ' 95' ' ' PHE . 0.8 OUTLIER -65.16 -50.29 66.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.811 -179.766 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 162' ' ' TRP . . . . . 0.618 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 2.8 t-105 -43.64 -65.66 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 -179.568 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 163' ' ' ASP . . . . . 0.618 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -62.09 -49.67 75.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.125 -179.511 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 96.9 m -55.02 -16.86 3.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.518 -179.232 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -121.28 18.65 11.48 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.562 -179.543 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.709 ' C ' HD12 ' A' ' 12' ' ' LEU . 24.8 t -146.18 138.9 20.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.115 179.649 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.85 39.54 0.07 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.155 0.502 . . . . 0.0 109.688 178.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.561 ' CD2' ' N ' ' A' ' 169' ' ' GLN . 32.6 p-80 -44.74 -51.35 9.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.468 -179.703 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 169' ' ' GLN . . . . . 0.561 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 16.8 mm100 40.34 32.6 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.533 -179.904 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 142.0 0.35 1.48 Allowed Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.431 ' H ' ' HB2' ' A' ' 168' ' ' HIS . 6.2 m -115.19 82.55 9.12 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.578 0.189 . . . . 0.0 110.589 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -78.0 152.86 28.48 Favored 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.211 1.941 . . . . 0.0 112.357 -179.491 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -62.72 149.7 43.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.965 -179.699 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -140.99 148.09 50.63 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.026 179.658 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -73.14 134.04 20.55 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 122.046 1.831 . . . . 0.0 112.127 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -97.17 -173.69 2.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.382 179.781 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -88.14 86.73 7.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.584 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 146.24 -9.95 1.52 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.0 tt -51.12 -30.39 16.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 110.465 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -76.58 -61.4 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.553 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -51.92 -52.37 50.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.487 -179.869 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 17.2 m80 -53.47 -56.06 20.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.536 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 38.7 t -50.72 -49.86 56.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.577 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -56.97 -33.69 67.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.52 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -67.85 -63.46 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.558 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 186' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 186' ' ' LEU . 9.6 mp -57.26 -59.1 5.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.556 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 1.5 t -50.0 -36.11 27.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.526 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -62.45 -45.39 96.0 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -55.29 -57.76 10.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 110.531 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.414 HD13 ' CD1' ' A' ' 152' ' ' ILE . 2.0 tp -48.96 -49.06 42.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.458 179.929 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 191' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 195' ' ' GLN . 1.6 ttm180 -45.74 -49.3 14.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.566 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -56.2 -52.07 65.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.555 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 77.0 mt -60.1 -63.19 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.516 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.5 tp -60.46 -19.64 57.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.517 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 195' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 191' ' ' ARG . 0.1 OUTLIER 55.95 97.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.618 179.943 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -150.51 -169.48 3.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.556 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -164.45 -52.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.534 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -88.83 145.33 18.65 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.537 179.989 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.5 mtm . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -71.85 109.67 5.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 4' ' ' SER . . . -140.01 26.85 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.588 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 55.8 162.72 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.417 179.953 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.408 ' O ' ' O ' ' A' ' 6' ' ' ALA . 41.7 Cg_endo -70.24 135.92 30.46 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.579 2.186 . . . . 0.0 112.086 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 5' ' ' PRO . . . 47.7 -176.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.591 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.5 t -94.92 -38.63 10.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.588 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.14 65.68 1.62 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -45.79 101.81 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.846 2.364 . . . . 0.0 112.074 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.48 -69.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.563 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 69.93 121.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.527 -179.882 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.478 ' N ' ' CD1' ' A' ' 12' ' ' LEU . 6.2 mp -98.56 172.98 7.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.149 -179.895 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.4 mtm -63.04 132.13 50.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.173 179.815 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.12 143.16 79.23 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.349 -179.603 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.432 ' O ' ' OG1' ' A' ' 19' ' ' THR . 87.0 Cg_exo -39.51 -55.46 1.58 Allowed 'Trans proline' 0 N--CA 1.489 1.25 0 C-N-CA 122.148 1.898 . . . . 0.0 112.386 179.775 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -57.97 -54.27 48.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.723 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.0 mm -48.88 -43.16 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.755 -179.768 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -66.84 -61.08 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -53.75 -64.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.679 -179.854 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 t -42.43 -61.19 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.733 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.453 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 22.1 t-20 -50.73 -36.73 37.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.655 -179.838 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -100.87 16.5 24.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.454 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' A' ' 19' ' ' THR . 3.0 t30 -42.25 112.78 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.51 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -40.48 93.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.586 -179.929 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 23' ' ' ASN . . . 106.42 108.67 3.32 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.918 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.452 ' C ' HD12 ' A' ' 26' ' ' ILE . 1.2 pp -133.82 -174.88 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-O 120.706 0.288 . . . . 0.0 110.511 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.92 16.26 0.03 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.778 ' H ' ' NE ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -103.18 144.41 31.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.469 179.978 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -66.62 79.59 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.452 179.866 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -163.33 39.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.637 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.731 HG22 ' CD2' ' A' ' 98' ' ' TRP . 1.7 p -47.02 157.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.055 -179.888 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.453 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.4 OUTLIER -127.14 143.93 51.15 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.386 179.66 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.62 HD23 ' N ' ' A' ' 34' ' ' CYS . 5.1 tt -137.06 118.09 14.32 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.318 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.62 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -107.19 122.08 45.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.575 179.919 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 22.7 p90 -109.17 141.83 40.83 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 -179.772 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.429 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 1.9 tm-20 -144.26 129.16 18.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.19 179.804 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.429 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 0.5 OUTLIER -98.36 137.47 25.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.095 0.474 . . . . 0.0 110.94 -179.698 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.43 ' OE1' ' OG1' ' A' ' 93' ' ' THR . 2.5 mp0 -135.75 129.13 32.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.176 179.737 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -94.22 140.65 29.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.623 -179.761 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.72 HD12 HG21 ' A' ' 89' ' ' ILE . 59.5 mt -100.12 149.4 23.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.559 179.803 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.88 104.56 3.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.616 -179.874 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 55.18 24.94 6.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.59 179.85 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.91 -24.0 31.98 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 89.3 m -68.74 127.89 34.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 110.516 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.59 118.99 32.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.641 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.1 t -121.59 102.66 12.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.47 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -77.17 146.32 37.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.596 -179.84 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -92.15 144.84 25.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.754 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.64 -50.39 5.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.453 179.862 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.08 66.02 7.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.173 179.608 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.782 ' NE2' HD12 ' A' ' 82' ' ' LEU . 57.8 t-80 -171.17 13.2 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.403 -179.418 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -100.98 143.02 31.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.598 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -161.89 172.46 38.05 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.512 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 1.9 p90 -145.59 147.26 31.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.845 0.355 . . . . 0.0 110.645 -179.92 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.427 HD22 ' O ' ' A' ' 54' ' ' PHE . 2.2 mm? -119.21 178.4 4.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.322 179.896 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 40.4 p-80 -130.88 153.08 49.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.577 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -58.58 149.22 26.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.728 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.428 ' HB2' ' H ' ' A' ' 69' ' ' ARG . 11.9 mm-40 -102.07 141.03 35.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.467 179.91 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -139.71 -99.57 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.664 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -100.12 105.0 16.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.601 -179.897 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.411 ' C ' ' H ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -152.94 110.88 3.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.525 179.978 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -66.35 0.84 1.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.412 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.411 ' H ' ' C ' ' A' ' 61' ' ' ASN . 10.4 mp -49.67 -50.91 41.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.537 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.87 -9.96 19.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.63 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.473 ' O ' ' CD1' ' A' ' 67' ' ' TYR . . . 111.22 49.9 0.64 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.428 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 4.1 t80 77.26 -38.64 0.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.785 0.326 . . . . 0.0 110.602 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' A' ' 65' ' ' GLY . 49.2 m-85 -42.11 157.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.463 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -141.23 161.21 26.88 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.428 ' H ' ' HB2' ' A' ' 58' ' ' GLN . 48.9 mtt180 -138.46 132.43 31.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.722 0.296 . . . . 0.0 110.457 179.927 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 73' ' ' LEU . 0.3 OUTLIER -53.81 138.4 35.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.003 -179.936 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.16 -39.3 1.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.553 -179.554 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -63.97 -39.31 93.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.482 179.808 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 70' ' ' HIS . 74.2 mt -72.2 -40.47 67.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.653 -179.875 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -49.98 62.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.556 -179.86 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.419 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 14.4 t80 -66.27 -37.15 84.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.575 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.71 -19.92 62.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.465 179.888 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -78.24 -23.36 47.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.246 -179.552 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 pp -114.31 9.04 16.88 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.721 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.578 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.1 t -60.05 -41.15 83.29 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.647 179.74 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 14.8 Cg_exo -66.14 -17.32 54.61 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.415 2.077 . . . . 0.0 111.938 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.6 t -59.18 -27.6 65.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.606 -179.933 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.782 HD12 ' NE2' ' A' ' 51' ' ' HIS . 3.6 mm? -71.85 -39.32 69.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.473 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.482 ' CB ' ' O ' ' A' ' 82' ' ' LEU . 3.8 tt0 80.61 45.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.967 -179.37 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.5 mt -38.08 155.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.264 -179.687 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.552 ' O ' ' NE2' ' A' ' 88' ' ' GLN . 0.6 OUTLIER -122.54 85.44 48.51 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.106 179.822 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -46.88 -8.71 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 122.3 2.0 . . . . 0.0 112.47 -179.683 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 85' ' ' ASP . . . -45.57 -23.77 0.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.53 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.552 ' NE2' ' O ' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -142.03 -170.65 3.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.704 -179.965 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.72 HG21 HD12 ' A' ' 40' ' ' LEU . 1.7 mp -90.77 144.07 9.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.588 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -133.55 161.3 34.99 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.592 179.658 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -142.73 109.68 5.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.434 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.503 ' O ' HD23 ' A' ' 122' ' ' LEU . 5.9 t -88.95 116.12 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.467 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.43 ' OG1' ' OE1' ' A' ' 38' ' ' GLU . 1.3 m -92.55 116.4 28.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.601 -179.872 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 15.7 m0 -100.34 133.14 45.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.455 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.548 ' CZ ' ' SG ' ' A' ' 161' ' ' CYS . 67.6 m-85 -126.18 102.87 7.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 178.675 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.59 140.53 26.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.012 0.434 . . . . 0.0 111.842 -178.22 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.664 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 1.7 p -94.05 -28.95 15.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.923 179.102 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.731 ' CD2' HG22 ' A' ' 31' ' ' THR . 17.8 m95 -112.23 132.92 54.65 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.46 179.815 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.13 162.32 0.51 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.249 179.507 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -67.4 144.52 67.93 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.537 2.158 . . . . 0.0 112.233 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.43 -83.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.55 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -101.14 93.16 5.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.303 0.573 . . . . 0.0 109.483 179.431 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.496 ' HB3' ' HB2' ' A' ' 139' ' ' ALA . 21.3 p -45.06 -27.72 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.14 -179.203 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -85.55 -22.13 28.24 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.651 -0.419 . . . . 0.0 111.417 -179.369 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.37 -63.58 1.56 Allowed Glycine 0 CA--C 1.526 0.724 0 C-N-CA 120.362 -0.923 . . . . 0.0 111.182 -179.695 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.04 -69.05 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.912 -179.855 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -55.07 -27.38 44.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.461 -179.831 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.6 -54.25 27.01 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 109.89 -1.284 . . . . 0.0 109.89 179.201 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -55.3 -31.52 61.69 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.151 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 53.0 t -72.05 -49.47 43.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.922 179.317 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -46.24 -58.89 3.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.887 179.501 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.18 -43.34 64.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.084 179.536 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.401 ' O ' ' N ' ' A' ' 117' ' ' ASN . 2.9 t80 -48.19 -55.02 11.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.331 179.679 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.445 ' C ' ' N ' ' A' ' 116' ' ' GLU . 10.6 mp -60.86 -56.69 18.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.373 179.895 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -46.55 -17.6 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.221 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.445 ' N ' ' C ' ' A' ' 114' ' ' LEU . 37.5 tt0 -110.36 -21.46 12.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.936 -179.891 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.467 ' C ' ' N ' ' A' ' 119' ' ' HIS . 21.0 m120 -132.7 46.1 2.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.941 -179.638 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.9 t -45.65 -16.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.666 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.593 ' CD2' HG23 ' A' ' 120' ' ' VAL . 0.0 OUTLIER -76.21 6.63 5.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.315 179.857 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.593 HG23 ' CD2' ' A' ' 119' ' ' HIS . 39.9 t -125.0 122.25 62.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.299 179.766 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -91.27 148.38 22.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.309 179.944 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 92' ' ' VAL . 0.8 OUTLIER -131.3 128.11 39.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.075 -179.537 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -118.52 117.62 29.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.893 179.262 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 5.5 mt -105.9 127.65 60.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.046 -179.33 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -123.57 107.67 11.79 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.356 179.661 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -83.15 112.29 19.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.492 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.664 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -82.58 -46.54 13.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.433 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.667 ' NH2' HD11 ' A' ' 186' ' ' LEU . 0.0 OUTLIER -132.11 144.61 50.83 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.491 179.773 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.486 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 0.2 OUTLIER -104.29 112.21 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.624 -179.806 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.486 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 24.5 m-85 -155.6 123.51 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.666 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 1.0 OUTLIER -162.86 -173.7 3.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.473 -179.942 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -90.56 -66.04 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.558 -179.903 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.491 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.1 OUTLIER -96.81 161.15 27.48 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.44 -179.886 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -69.8 25.16 0.18 Allowed 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.512 2.141 . . . . 0.0 112.088 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.491 ' H ' ' C ' ' A' ' 133' ' ' ASP . 6.1 mt -62.77 -7.26 4.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.559 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.553 ' CG ' ' N ' ' A' ' 137' ' ' LYS . 2.8 p90 -57.45 -39.73 76.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.627 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.553 ' N ' ' CG ' ' A' ' 136' ' ' TYR . 18.7 tttt -70.04 -43.32 71.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 -179.89 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -52.91 -35.05 57.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.531 -179.863 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.496 ' HB2' ' HB3' ' A' ' 103' ' ' SER . . . -72.43 -50.99 22.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.608 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.9 mt -44.55 -48.47 10.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.39 179.871 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -70.52 -53.59 15.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.466 179.809 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -48.16 -28.55 3.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.513 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.698 HD12 ' HB3' ' A' ' 148' ' ' ALA . 1.8 mm? -74.08 -54.12 8.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.425 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.84 -34.71 2.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.535 179.926 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.56 -25.28 49.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.59 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -81.29 -23.94 37.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.621 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 84.61 76.96 1.18 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 148' ' ' ALA . . . . . 0.698 ' HB3' HD12 ' A' ' 143' ' ' LEU . . . -150.36 172.65 15.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.765 0.317 . . . . 0.0 110.49 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 34.8 tp60 -100.47 112.28 24.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.723 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 2.6 m -119.1 113.74 42.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.43 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 74.1 p -153.23 162.34 41.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.828 -179.789 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.2 tp -80.07 134.56 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.326 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 20.7 mmm -41.23 130.26 2.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.744 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.34 159.33 16.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.434 179.867 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -50.77 -48.62 59.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.58 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.88 -60.74 2.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.594 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.12 -57.76 4.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.574 -179.919 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -42.6 -47.03 5.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.608 -179.93 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -53.79 -48.55 69.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.743 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.611 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.41 -57.41 5.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.719 -179.767 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.611 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 0.1 OUTLIER -53.71 -23.49 11.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.654 -179.924 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 162' ' ' TRP . . . . . 0.613 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 6.5 t-105 -74.24 -70.55 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 -179.742 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 163' ' ' ASP . . . . . 0.613 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -62.69 -14.17 40.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.093 -179.609 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 98.8 m -84.42 -27.3 27.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.1 -179.665 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 165' ' ' PHE . . . . . 0.59 ' CE1' ' SG ' ' A' ' 34' ' ' CYS . 47.8 m-85 -121.33 18.75 11.43 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.259 -179.584 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.579 HG21 ' CE3' ' A' ' 162' ' ' TRP . 70.7 t -129.47 145.89 35.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.785 0.326 . . . . 0.0 111.171 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 167' ' ' ASP . . . . . 0.4 ' OD1' ' OE1' ' A' ' 169' ' ' GLN . 44.6 t0 -75.97 37.91 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.241 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.749 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.6 OUTLIER -37.86 -59.11 0.86 Allowed 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.698 -179.331 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 169' ' ' GLN . . . . . 0.628 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 2.2 mp0 40.47 18.89 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.003 -179.844 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 170' ' ' GLY . . . . . 0.749 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 142.64 -0.13 1.4 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 179.736 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.612 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 1.0 OUTLIER -115.0 87.01 14.45 Favored Pre-proline 0 CA--C 1.531 0.236 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.686 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -80.82 161.9 21.25 Favored 'Trans proline' 0 C--N 1.314 -1.275 0 C-N-CA 122.262 1.975 . . . . 0.0 112.869 -178.747 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -52.2 139.74 22.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.586 179.872 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -122.33 84.64 47.01 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.71 -179.786 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -49.67 134.06 33.29 Favored 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.247 1.964 . . . . 0.0 112.098 -179.865 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 176' ' ' TRP . . . . . 0.472 ' O ' ' N ' ' A' ' 178' ' ' GLY . 8.4 p90 -102.44 144.87 30.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.569 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 177' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 177' ' ' ASP . 0.9 OUTLIER -53.38 87.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.576 -179.915 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 178' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 176' ' ' TRP . . . 158.8 -29.87 0.44 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 179' ' ' LEU . . . . . 0.406 ' CD1' ' CZ2' ' A' ' 176' ' ' TRP . 1.8 tp -50.33 -29.78 10.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 110.55 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -71.46 -62.3 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.578 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -54.36 -50.9 66.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.597 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -51.14 -59.72 3.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.547 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 25.9 t -52.86 -33.25 48.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.564 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.76 -52.81 63.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.565 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -55.33 -54.36 44.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.593 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 186' ' ' LEU . . . . . 0.667 HD11 ' NH2' ' A' ' 128' ' ' ARG . 46.3 mt -55.45 -50.23 70.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.526 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 20.1 p -59.24 -37.73 78.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.523 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -53.6 -49.0 59.31 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 8.5 mtm-85 -61.92 -54.05 47.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.602 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.73 -44.91 6.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.367 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -65.33 -38.15 89.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.591 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -52.76 -42.12 64.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.677 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 193' ' ' ILE . . . . . 0.553 ' N ' HD12 ' A' ' 193' ' ' ILE . 1.7 mp -70.65 -46.92 67.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.667 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 9.2 mt -62.32 -35.88 80.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -96.94 68.1 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.548 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 36.2 t-20 -93.47 -62.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.552 -179.939 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -96.8 157.59 15.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.547 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -97.06 -84.92 1.76 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.547 -179.969 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 mtm . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -101.55 115.21 30.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.522 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -172.51 -169.38 0.6 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.631 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.0 m 54.79 60.93 9.68 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.629 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -74.05 -61.92 0.04 OUTLIER 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.689 2.259 . . . . 0.0 112.165 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 49.38 -158.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.568 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.38 -158.76 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.603 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 168.04 61.52 0.03 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -74.66 79.3 2.58 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.781 2.321 . . . . 0.0 112.18 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.55 -80.02 0.6 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.454 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.462 ' C ' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -144.88 92.34 2.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.416 -179.959 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.872 HD22 ' N ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -108.66 161.34 15.18 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.99 -179.9 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -78.4 166.14 22.98 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.278 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -83.12 147.85 54.97 Favored Pre-proline 0 C--N 1.328 -0.357 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.492 -179.697 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.424 ' O ' ' OG1' ' A' ' 19' ' ' THR . 75.2 Cg_exo -40.21 -53.19 2.65 Favored 'Trans proline' 0 N--CA 1.489 1.22 0 C-N-CA 122.219 1.946 . . . . 0.0 112.102 179.661 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.488 ' ND1' ' OG ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -60.8 -52.47 64.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.049 -179.631 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.403 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 2.9 mm -48.65 -33.73 5.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.513 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -82.42 -61.15 1.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.716 -179.899 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.6 OUTLIER -50.33 -26.5 4.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.599 -179.875 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.488 ' OG ' ' ND1' ' A' ' 16' ' ' HIS . 42.7 m -78.37 -53.52 7.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.483 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.676 ' ND2' ' CE1' ' A' ' 32' ' ' TYR . 76.2 m-20 -69.03 0.36 4.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.488 -179.935 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -133.1 8.75 4.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.467 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 24' ' ' ASN . 0.1 OUTLIER -77.13 115.93 17.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.62 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.44 ' OD1' ' CE2' ' A' ' 176' ' ' TRP . 0.5 OUTLIER -42.24 165.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.554 179.962 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.06 58.26 11.31 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.9 pt -72.01 -177.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 110.571 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.92 31.34 0.02 OUTLIER Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.471 ' O ' ' CZ2' ' A' ' 98' ' ' TRP . 0.2 OUTLIER -137.29 169.39 17.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.714 0.292 . . . . 0.0 110.444 -179.95 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -112.34 84.36 1.96 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.539 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -171.58 48.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.597 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.9 t -46.98 162.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.24 -179.83 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.676 ' CE1' ' ND2' ' A' ' 21' ' ' ASN . 1.0 OUTLIER -115.24 145.03 42.83 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.37 179.67 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.636 ' C ' HD23 ' A' ' 33' ' ' LEU . 5.7 tt -137.64 119.68 15.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.56 -179.726 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.612 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -113.67 133.9 55.05 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.317 179.626 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.569 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 30.4 p90 -122.8 134.68 54.41 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.728 -179.802 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -129.7 137.51 50.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.258 179.74 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -95.84 136.02 28.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 121.012 0.434 . . . . 0.0 110.545 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -140.3 118.07 11.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.521 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.585 HH12 ' CB ' ' A' ' 88' ' ' GLN . 11.6 ttm-85 -79.86 132.24 36.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.259 179.727 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.8 mt -98.73 121.72 41.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.507 -179.761 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -138.67 102.42 4.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.523 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 t30 61.69 25.23 15.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.556 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.62 -17.29 58.6 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.8 m -75.73 117.03 17.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.34 . . . . 0.0 110.581 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.03 108.82 21.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.646 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.0 t -101.23 111.6 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.548 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.412 ' NZ ' ' CB ' ' A' ' 47' ' ' LYS . 6.0 ttpm? -84.95 137.92 32.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.582 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.7 mtt -97.99 154.74 17.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.707 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.1 -50.38 4.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.853 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -91.83 70.95 5.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.598 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.518 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 39.3 t-80 -173.76 -13.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.453 -179.735 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.411 ' H ' ' HG2' ' A' ' 52' ' ' ARG . 36.0 ptt85 -100.82 170.79 8.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.601 -179.909 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -172.2 -163.38 25.98 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.457 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 12.4 p90 -155.66 163.16 40.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.657 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 mt -146.32 177.72 8.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.511 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.424 ' ND1' ' N ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -140.29 148.91 42.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.586 179.967 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 58' ' ' GLN . 25.5 t30 -75.38 153.47 37.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.602 -179.896 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.44 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 2.1 tt0 49.72 76.33 0.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.746 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.408 ' HB3' ' OH ' ' A' ' 67' ' ' TYR . . . -98.71 -2.89 37.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.414 179.885 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.48 101.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.828 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.511 ' C ' ' H ' ' A' ' 63' ' ' LEU . 1.0 OUTLIER -122.93 116.29 23.36 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.757 179.874 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.558 ' CD1' ' N ' ' A' ' 62' ' ' LEU . 6.6 mp -68.22 6.98 0.65 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.098 -179.611 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.511 ' H ' ' C ' ' A' ' 61' ' ' ASN . 2.8 tt -48.06 -50.45 27.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.228 179.259 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -113.59 -0.2 14.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.469 179.833 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 66' ' ' PHE . . . 104.81 -19.05 42.35 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.864 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.455 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER 164.47 109.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.721 0.296 . . . . 0.0 110.575 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.408 ' OH ' ' HB3' ' A' ' 59' ' ' ALA . 3.4 p90 -117.2 156.5 27.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.486 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -135.62 89.19 0.23 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -135.73 145.61 46.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.778 0.323 . . . . 0.0 110.495 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -77.21 154.26 33.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.652 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -47.77 -22.96 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.452 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -63.16 -61.88 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.476 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.7 mp -54.86 -47.2 74.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.489 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -58.64 -40.06 82.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.542 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.569 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 41.9 t80 -73.97 -26.48 60.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.654 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.5 mt -70.65 -26.85 63.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.932 0.396 . . . . 0.0 110.196 179.73 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -74.44 -17.9 60.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.501 179.812 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.7 mt -79.72 -8.45 59.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.653 -179.939 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.2 t -46.22 -60.05 4.11 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.106 -179.833 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.53 -24.64 37.15 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 121.742 1.628 . . . . 0.0 111.778 179.168 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.5 -8.76 55.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.0 mp -105.88 -41.47 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.607 -179.706 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 61.57 51.97 3.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.515 179.84 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.5 mt -47.38 155.95 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.561 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.486 ' C ' ' H ' ' A' ' 87' ' ' ALA . 0.9 OUTLIER -115.99 85.19 14.53 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.602 -179.895 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -48.55 -8.02 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.42 2.08 . . . . 0.0 112.309 -179.877 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.486 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -52.36 -18.75 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.508 179.826 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.585 ' CB ' HH12 ' A' ' 39' ' ' ARG . 1.1 mp0 -144.68 -170.72 3.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.527 179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.5 mm -93.8 152.76 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.953 0.406 . . . . 0.0 110.546 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -141.68 172.27 12.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.772 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -154.06 119.67 5.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.427 -179.672 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.32 136.25 44.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.3 179.641 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.3 m -111.47 122.21 47.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.918 -179.552 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -102.01 132.87 47.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.046 179.378 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -120.82 102.91 8.69 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.618 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.03 142.23 27.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.919 -178.029 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.641 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 3.6 p -89.12 -31.63 17.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.38 178.657 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.581 ' CZ3' ' CD1' ' A' ' 130' ' ' TYR . 12.6 m95 -110.59 146.93 35.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.438 179.715 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.4 OUTLIER -69.42 149.86 97.13 Favored Pre-proline 0 CA--C 1.534 0.36 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.743 -179.444 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' A' ' 99' ' ' SER . 51.8 Cg_exo -43.43 173.15 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 122.244 1.962 . . . . 0.0 112.422 179.507 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -112.39 -147.2 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.792 179.396 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.519 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -41.76 100.04 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.266 0.555 . . . . 0.0 109.596 179.373 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.899 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 94.2 p -39.1 -23.98 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.789 -179.91 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.513 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -84.18 -30.99 25.36 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.625 -179.095 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -74.39 -62.11 2.99 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.307 -179.632 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.98 -69.08 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.672 0.273 . . . . 0.0 111.254 -179.557 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.899 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -48.12 -30.21 4.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.904 -179.452 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -66.82 -61.99 4.85 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 179.812 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -54.04 -48.58 70.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.96 0.409 . . . . 0.0 110.333 179.735 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.12 -49.19 85.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.479 179.895 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -47.28 -59.11 3.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.25 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -48.11 -40.55 23.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.356 179.869 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -59.82 -50.34 74.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.618 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 56.8 mt -63.74 -32.77 74.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.534 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -64.82 -29.98 70.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.506 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -110.15 13.58 23.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.058 -179.822 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.516 ' O ' ' N ' ' A' ' 119' ' ' HIS . 0.5 OUTLIER -157.09 29.32 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.994 0.426 . . . . 0.0 110.845 -179.907 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.403 ' C ' ' H ' ' A' ' 120' ' ' VAL . 12.8 t -47.07 -10.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.349 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.524 ' CE1' ' O ' ' A' ' 88' ' ' GLN . 0.1 OUTLIER -75.89 13.54 0.83 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.885 0.374 . . . . 0.0 110.632 -179.934 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 120' ' ' VAL . 2.4 m -134.93 127.0 47.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.457 179.501 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.37 110.85 22.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.151 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 13.3 tp -109.16 112.46 24.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.77 -179.528 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.21 158.06 16.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.146 179.5 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 20.1 mt -126.21 140.01 49.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.917 -179.745 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -124.46 97.98 5.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.513 179.692 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -81.44 111.03 17.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.335 179.855 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.641 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -82.75 -52.05 7.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 -179.653 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.644 ' CA ' ' HE ' ' A' ' 128' ' ' ARG . 0.0 OUTLIER -121.43 162.4 20.51 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 110.637 -179.835 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.46 142.05 42.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.753 -179.883 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.581 ' CD1' ' CZ3' ' A' ' 98' ' ' TRP . 6.1 t80 -97.18 -140.43 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.877 179.148 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -163.93 21.78 0.07 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.638 179.822 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 132' ' ' TYR . . . . . 0.439 ' CG ' ' O ' ' A' ' 132' ' ' TYR . 62.8 t80 -106.83 -1.48 22.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.639 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.471 ' C ' ' H ' ' A' ' 135' ' ' LEU . 16.4 m-20 -137.29 70.04 54.87 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.616 -179.903 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -50.68 -6.74 0.1 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.745 2.297 . . . . 0.0 112.142 179.891 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.471 ' H ' ' C ' ' A' ' 133' ' ' ASP . 5.9 mp -78.4 -3.42 43.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.622 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.592 ' CG ' ' N ' ' A' ' 137' ' ' LYS . 12.6 p90 -42.46 -44.7 4.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.628 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.592 ' N ' ' CG ' ' A' ' 136' ' ' TYR . 13.8 pttp -66.4 -37.54 85.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.579 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -59.64 -49.65 76.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.603 -179.927 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.51 -42.02 81.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.587 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.7 mp -50.93 -58.86 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.571 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -65.57 -46.47 79.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 -179.903 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -44.57 -33.01 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.416 -179.912 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' A' ' 146' ' ' ALA . 1.4 mp -82.32 -45.37 15.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.611 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -45.35 -28.39 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.45 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -83.89 -26.43 29.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.587 179.903 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -77.08 -22.19 53.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.656 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 105.35 -6.67 42.52 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -66.25 -176.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.717 0.294 . . . . 0.0 110.541 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -129.6 136.44 49.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.612 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 2.3 m -132.13 127.33 57.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.546 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.8 m -153.14 162.19 41.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.716 -179.939 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 152' ' ' ILE . . . . . 0.575 HG21 ' OG ' ' A' ' 187' ' ' SER . 1.0 OUTLIER -84.16 134.15 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.529 179.903 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.588 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 10.4 ttt -52.6 134.07 35.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.614 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.51 163.67 12.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.586 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -58.92 -39.64 82.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.695 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -59.69 -58.13 9.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.54 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -53.9 -29.42 41.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.48 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.588 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.3 OUTLIER -65.85 -41.4 91.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.564 179.905 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -61.22 -48.69 80.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.605 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.602 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.32 -51.34 38.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.586 -179.931 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.602 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 9.2 t -58.87 -23.65 61.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.67 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 162' ' ' TRP . . . . . 0.627 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 2.7 t-105 -72.32 -66.34 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.796 -179.755 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 163' ' ' ASP . . . . . 0.627 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -64.4 -14.23 55.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.282 -179.457 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 93.9 m -86.39 -22.54 26.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.353 -179.507 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -121.33 18.36 11.44 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.376 -179.449 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.526 ' C ' ' H ' ' A' ' 168' ' ' HIS . 43.5 t -140.74 135.48 34.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.935 0.398 . . . . 0.0 110.687 179.549 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 167' ' ' ASP . . . . . 0.484 ' C ' ' N ' ' A' ' 169' ' ' GLN . 0.6 OUTLIER -70.86 37.43 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.314 -179.964 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.713 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.2 OUTLIER -48.29 -13.61 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.414 -179.959 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 169' ' ' GLN . . . . . 0.484 ' N ' ' C ' ' A' ' 167' ' ' ASP . 4.5 mt-30 41.64 19.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.802 179.802 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 170' ' ' GLY . . . . . 0.713 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 113.64 37.32 1.31 Allowed Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 179.651 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.592 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 1.5 m -127.12 80.45 71.55 Favored Pre-proline 0 N--CA 1.463 0.19 0 CA-C-O 120.629 0.252 . . . . 0.0 110.535 179.72 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -52.43 148.33 26.64 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.512 2.141 . . . . 0.0 112.182 179.873 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.46 ' CE1' ' O ' ' A' ' 174' ' ' GLN . 0.1 OUTLIER -99.27 119.12 37.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.409 179.922 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.46 ' O ' ' CE1' ' A' ' 173' ' ' PHE . 0.0 OUTLIER -85.38 151.2 55.95 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.388 -179.834 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.56 141.97 35.56 Favored 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.167 1.911 . . . . 0.0 112.015 179.808 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 176' ' ' TRP . . . . . 0.44 ' CE2' ' OD1' ' A' ' 24' ' ' ASN . 2.0 p90 -91.5 178.73 5.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.469 179.862 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.81 92.42 2.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.525 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 147.49 -45.44 0.76 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.5 tp -41.44 -34.22 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 110.63 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.05 -62.66 1.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.658 -179.885 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -59.48 -60.4 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.65 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -42.02 -49.84 4.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.562 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 19.8 m -53.95 -42.25 68.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.564 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -41.82 98.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.652 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -68.02 -54.48 18.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.542 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 9.0 mt -49.47 -54.25 18.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.609 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 187' ' ' SER . . . . . 0.575 ' OG ' HG21 ' A' ' 152' ' ' ILE . 22.6 m -61.0 -46.98 88.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.593 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -49.04 -47.49 32.52 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 189' ' ' ARG . . . . . 0.508 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 49.7 ttm-85 -58.98 -61.6 2.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.809 0.338 . . . . 0.0 110.591 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.9 tp -48.21 -49.1 34.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.501 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -55.37 -30.28 60.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.517 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 192' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -65.79 -50.8 63.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.513 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 193' ' ' ILE . . . . . 0.535 ' N ' HD12 ' A' ' 193' ' ' ILE . 1.7 mp -53.62 -49.33 56.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.565 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 5.7 mt -64.7 -30.65 71.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.547 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -87.52 84.13 7.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.552 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -141.03 60.4 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 179.932 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -80.47 -158.21 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.528 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 102.95 45.66 1.58 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.595 179.991 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.5 ttt . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.83 169.96 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.566 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.09 18.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.61 179.922 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 p -147.23 67.21 10.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.519 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -47.53 155.62 1.31 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.838 2.359 . . . . 0.0 112.146 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -164.28 -93.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.519 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.37 149.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.58 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.561 ' O ' ' NE2' ' A' ' 169' ' ' GLN . . . -166.36 172.66 41.7 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -72.84 85.37 1.17 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.761 2.307 . . . . 0.0 112.066 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.493 ' NH1' ' OD2' ' A' ' 49' ' ' ASP . 26.5 mtp180 -99.66 156.91 16.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.573 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.441 ' O ' ' CG ' ' A' ' 11' ' ' HIS . 0.0 OUTLIER -94.74 86.95 4.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.486 179.901 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 166' ' ' VAL . 6.7 mp -99.98 174.65 6.08 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.382 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.519 ' SD ' ' CE1' ' A' ' 54' ' ' PHE . 2.4 tpp -62.06 122.54 15.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.033 179.808 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.12 136.53 28.87 Favored Pre-proline 0 CA--C 1.537 0.446 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.724 -179.241 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.408 ' O ' ' OG1' ' A' ' 19' ' ' THR . 87.0 Cg_exo -40.06 -55.5 1.75 Allowed 'Trans proline' 0 N--CA 1.492 1.391 0 C-N-CA 122.176 1.917 . . . . 0.0 112.402 179.656 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -59.81 -50.1 75.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.277 -179.39 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 mm -48.59 -44.65 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.734 -179.583 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -68.13 -60.95 2.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.609 -179.897 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -50.66 -26.43 5.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.706 -179.78 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.2 t -78.64 -56.51 4.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.507 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.467 ' CG ' ' CE1' ' A' ' 32' ' ' TYR . 6.7 m-80 -63.18 -13.97 43.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.526 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -132.47 32.68 3.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.478 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.49 -3.06 13.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.519 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 61.92 130.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.553 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.715 ' H ' ' NH1' ' A' ' 128' ' ' ARG . . . 100.85 22.65 10.7 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 pp -78.47 -165.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.0 110.62 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 176.45 -24.87 0.06 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -159.17 120.09 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 0.0 110.472 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -175.49 -82.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.63 179.898 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -173.48 108.74 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.762 -179.928 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.734 HG22 ' CG ' ' A' ' 98' ' ' TRP . 47.6 p -47.19 133.97 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.467 ' CE1' ' CG ' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -108.64 140.23 42.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.335 179.817 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.407 HD12 ' N ' ' A' ' 34' ' ' CYS . 9.4 tp -142.09 111.78 6.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.463 -179.887 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.407 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -102.29 147.03 27.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.021 179.407 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -133.19 134.44 44.08 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.992 0.425 . . . . 0.0 111.053 -179.55 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.496 ' OE1' HG21 ' A' ' 164' ' ' THR . 1.6 mt-10 -134.56 132.01 38.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.029 179.589 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -101.0 144.07 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.027 0.441 . . . . 0.0 110.892 -179.679 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -143.87 118.25 9.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.271 179.91 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -86.4 141.02 29.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.713 -179.823 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.609 ' N ' HD22 ' A' ' 40' ' ' LEU . 3.6 mm? -75.01 148.7 39.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.412 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -152.92 96.9 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.571 179.908 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 52.96 49.6 19.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.638 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.03 -6.08 22.45 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 179.878 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.9 m -102.74 117.39 34.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.882 0.373 . . . . 0.0 110.598 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.4 p -78.26 144.91 35.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.429 179.772 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.5 t -136.26 118.18 20.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.677 -179.863 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.79 150.03 28.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.39 179.919 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.43 ' O ' ' NH1' ' A' ' 52' ' ' ARG . 51.5 mtt -97.74 158.9 15.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.721 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.493 ' OD2' ' NH1' ' A' ' 10' ' ' ARG . 1.4 m-20 -97.02 -50.35 4.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.759 -179.926 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -102.31 76.58 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.456 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.669 ' CE1' HD21 ' A' ' 82' ' ' LEU . 48.8 t-80 -172.94 -10.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.423 -179.721 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.43 ' NH1' ' O ' ' A' ' 48' ' ' MET . 6.0 ptp85 -100.88 171.05 7.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.623 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -176.65 -163.78 29.53 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.519 ' CE1' ' SD ' ' A' ' 13' ' ' MET . 42.3 p90 -165.92 146.57 6.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.904 0.383 . . . . 0.0 110.736 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.802 HD23 ' N ' ' A' ' 55' ' ' LEU . 1.3 pt? -155.4 157.62 37.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.54 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.509 ' N ' ' ND1' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -108.97 170.36 8.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.74 -179.934 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.518 ' N ' ' HB2' ' A' ' 71' ' ' ALA . 30.8 p-10 -79.16 -167.86 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.602 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.624 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 24.2 mt-30 54.6 -84.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.641 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 58' ' ' GLN . . . 77.31 -149.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.579 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -134.89 61.25 1.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.563 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.534 HD21 ' CZ ' ' A' ' 74' ' ' ARG . 4.1 m-20 -103.14 48.11 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.514 -179.908 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.544 ' N ' HD12 ' A' ' 62' ' ' LEU . 10.4 mp -77.16 -19.11 57.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.611 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 63' ' ' LEU . 10.4 mp -67.7 -46.13 73.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.522 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 13.9 t -97.69 -15.97 20.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.568 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.65 19.42 79.15 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.91 -21.11 61.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.586 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.462 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 13.7 p90 -56.33 136.22 53.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.597 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.4 17.76 0.96 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -136.75 144.15 43.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.758 0.313 . . . . 0.0 110.514 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -50.05 165.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.473 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.518 ' HB2' ' N ' ' A' ' 57' ' ' ASN . . . -77.1 -22.85 52.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.484 179.879 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -56.57 -51.13 69.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.672 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.2 mp -58.65 -56.7 18.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.532 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.534 ' CZ ' HD21 ' A' ' 61' ' ' ASN . 15.6 ttt180 -59.39 -21.78 60.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.691 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.819 ' O ' HD12 ' A' ' 78' ' ' LEU . 2.0 t80 -80.64 -34.65 34.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.827 -179.817 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.496 HD12 ' OE1' ' A' ' 109' ' ' GLU . 81.1 mt -69.24 -30.46 68.61 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.844 0.354 . . . . 0.0 110.477 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.82 -16.54 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.542 179.778 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.991 HD13 ' N ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -76.99 -14.23 59.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.245 -179.279 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.991 ' N ' HD13 ' A' ' 78' ' ' LEU . 6.4 t -41.29 -60.63 1.68 Allowed Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.683 179.885 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.81 -33.39 50.42 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 121.913 1.742 . . . . 0.0 112.001 179.633 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.71 -8.18 9.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.669 HD21 ' CE1' ' A' ' 51' ' ' HIS . 4.1 mp -113.02 -47.79 3.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.272 -179.12 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 59.3 43.48 16.73 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -178.904 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.5 mt -35.96 155.99 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.476 -179.469 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 87' ' ' ALA . 3.7 m-20 -114.71 86.1 12.43 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.122 179.792 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.428 ' C ' ' N ' ' A' ' 88' ' ' GLN . 79.3 Cg_exo -45.26 -10.53 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 122.317 2.012 . . . . 0.0 112.56 -179.347 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 85' ' ' ASP . . . -47.07 -20.17 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.912 0.387 . . . . 0.0 110.174 179.649 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.428 ' N ' ' C ' ' A' ' 86' ' ' PRO . 1.1 mp0 -141.59 176.8 8.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.247 179.832 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.3 mm -91.65 154.22 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.029 0.442 . . . . 0.0 110.825 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -137.41 165.96 24.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.609 179.892 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -135.63 105.29 6.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.598 -179.884 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.9 t -93.54 117.97 38.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.257 179.846 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.41 119.03 37.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.06 -179.561 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.439 ' CD2' HD11 ' A' ' 122' ' ' LEU . 19.4 m0 -100.69 132.91 45.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.191 179.601 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -125.66 103.33 7.78 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.865 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.89 143.58 22.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.843 -178.275 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.65 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 0.6 OUTLIER -97.08 -22.03 17.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.441 178.721 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 98' ' ' TRP . . . . . 0.734 ' CG ' HG22 ' A' ' 31' ' ' THR . 12.9 m95 -111.94 139.81 47.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.367 179.898 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.5 OUTLIER -67.73 159.57 77.99 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.765 -179.691 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' A' ' 99' ' ' SER . 53.6 Cg_exo -42.49 173.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.314 -1.287 0 C-N-CA 122.648 2.232 . . . . 0.0 112.475 179.53 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -131.26 -54.95 1.03 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.394 179.691 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.517 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -132.29 107.24 8.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.793 179.566 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.528 ' O ' ' N ' ' A' ' 108' ' ' GLY . 82.7 p -43.33 -33.61 1.04 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.938 -179.682 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -84.63 -21.77 30.16 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.995 -179.646 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.86 -63.74 1.52 Allowed Glycine 0 CA--C 1.525 0.698 0 C-N-CA 120.275 -0.964 . . . . 0.0 110.833 179.889 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 106' ' ' CYS . . . . . 0.818 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -79.32 -69.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.765 0.317 . . . . 0.0 111.067 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.55 -24.73 61.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.777 -179.596 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -69.13 -60.11 5.41 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.918 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.496 ' OE1' HD12 ' A' ' 76' ' ' LEU . 5.5 mt-10 -60.12 -20.77 59.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.972 0.415 . . . . 0.0 110.384 179.836 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 106' ' ' CYS . 92.1 t -74.02 -61.92 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.919 -179.905 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.448 ' CG ' ' N ' ' A' ' 112' ' ' ALA . 0.0 OUTLIER -57.07 -42.01 79.84 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.155 -179.743 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.448 ' N ' ' CG ' ' A' ' 111' ' ' ARG . . . -51.8 -54.56 27.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.188 179.635 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 117' ' ' ASN . 5.3 t80 -49.34 -43.62 43.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.199 179.63 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.448 ' C ' ' N ' ' A' ' 116' ' ' GLU . 4.4 mp -65.71 -55.83 15.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.28 179.692 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -46.57 -19.41 0.09 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.05 179.573 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 114' ' ' LEU . 15.1 tt0 -110.04 -23.11 11.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.996 -179.939 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 113' ' ' PHE . 81.2 m-20 -141.7 55.19 1.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.998 -179.708 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.4 ' C ' ' H ' ' A' ' 120' ' ' VAL . 0.1 OUTLIER -53.81 -9.29 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.787 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.499 ' ND1' ' O ' ' A' ' 119' ' ' HIS . 5.0 p80 -76.43 14.15 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.59 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.421 ' CG2' ' CE1' ' A' ' 119' ' ' HIS . 58.5 t -132.34 133.94 59.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.48 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.54 148.34 22.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.514 -179.882 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.439 HD11 ' CD2' ' A' ' 94' ' ' TRP . 0.1 OUTLIER -129.16 112.27 13.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.341 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -114.13 117.93 32.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.961 179.522 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 42.3 mt -105.81 130.77 56.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.302 -179.214 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.413 ' CZ ' ' OE2' ' A' ' 157' ' ' GLU . 87.7 m-85 -121.79 97.82 5.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.225 179.392 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -78.14 108.56 11.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.88 0.371 . . . . 0.0 110.428 -179.873 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.65 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -80.23 -44.6 19.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.73 -179.92 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.715 ' NH1' ' H ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -131.32 145.36 51.83 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.813 0.339 . . . . 0.0 110.588 179.88 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 129' ' ' ILE . . . . . 0.522 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 1.5 mt -102.31 117.05 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.666 -179.894 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.522 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 14.2 m-85 -159.83 115.85 2.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.478 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -139.72 176.82 8.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.532 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -102.26 -13.71 17.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.594 -179.928 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.12 160.83 32.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.518 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.22 7.81 0.77 Allowed 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.517 2.145 . . . . 0.0 112.158 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.19 -17.72 58.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.557 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 136' ' ' TYR . . . . . 0.601 ' CD1' ' N ' ' A' ' 137' ' ' LYS . 0.6 OUTLIER -54.56 -28.74 48.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.599 -179.977 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 137' ' ' LYS . . . . . 0.601 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 25.9 ttmt -63.53 -59.22 4.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.588 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -48.46 -44.18 35.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.519 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -51.17 -55.81 16.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.601 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.4 mp -49.02 -42.89 39.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.537 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.75 -52.75 48.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.537 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 142' ' ' MET . . . . . 0.493 ' SD ' ' O ' ' A' ' 103' ' ' SER . 0.6 OUTLIER -46.87 -27.17 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.544 -179.967 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 146' ' ' ALA . 4.9 mt -82.13 -58.8 2.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.536 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -46.28 -21.99 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.624 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 145' ' ' ASP . . . . . 0.403 ' N ' ' C ' ' A' ' 143' ' ' LEU . 0.8 OUTLIER -85.16 -28.98 25.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.704 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -77.31 -24.09 50.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.567 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 97.52 10.84 52.89 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -76.63 176.1 8.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.728 0.299 . . . . 0.0 110.567 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -105.71 129.24 53.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.58 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 1.1 t -132.14 111.47 18.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.487 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 76.5 p -147.26 162.25 39.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.628 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 2.3 mt -84.94 133.64 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.505 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 153' ' ' MET . . . . . 0.566 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 2.6 ttt -50.11 121.65 5.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.576 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 6.3 p -101.67 -178.6 3.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.561 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -61.32 -55.18 34.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.67 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -50.15 -42.11 50.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.684 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.413 ' OE2' ' CZ ' ' A' ' 125' ' ' PHE . 6.3 mm-40 -67.49 -35.48 79.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.578 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.566 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 1.0 OUTLIER -63.1 -45.32 92.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.55 -179.937 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -59.5 -45.39 91.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.608 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 160' ' ' HIS . . . . . 0.614 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -66.92 -57.62 6.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.444 179.891 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.614 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 6.8 t -55.98 -23.54 33.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.719 -179.902 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 162' ' ' TRP . . . . . 0.623 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 7.2 t-105 -73.87 -71.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.01 -179.62 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 163' ' ' ASP . . . . . 0.623 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -62.7 -14.33 42.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.245 -179.627 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 164' ' ' THR . . . . . 0.496 HG21 ' OE1' ' A' ' 36' ' ' GLU . 52.4 m -82.95 -27.28 30.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.238 -179.612 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -121.36 9.68 10.4 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 116.592 -0.277 . . . . 0.0 111.518 -179.436 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.568 ' C ' ' H ' ' A' ' 168' ' ' HIS . 73.1 t -122.2 143.24 35.54 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.298 0 CA-C-O 120.985 0.422 . . . . 0.0 111.217 179.821 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -71.35 36.19 0.05 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.626 178.923 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 168' ' ' HIS . . . . . 0.715 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.7 OUTLIER -43.0 -59.14 2.13 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.794 179.941 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 169' ' ' GLN . . . . . 0.63 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 24.4 mt-30 42.88 15.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.113 179.669 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 170' ' ' GLY . . . . . 0.715 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 144.34 0.4 1.01 Allowed Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 179.784 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 171' ' ' CYS . . . . . 0.624 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 3.9 m -115.32 88.81 19.46 Favored Pre-proline 0 CA--C 1.531 0.228 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.72 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -82.19 149.62 15.34 Favored 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 122.383 2.056 . . . . 0.0 112.371 -179.425 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 173' ' ' PHE . . . . . 0.478 ' CE1' ' O ' ' A' ' 174' ' ' GLN . 0.4 OUTLIER -99.75 118.94 37.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.465 -179.952 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 174' ' ' GLN . . . . . 0.478 ' O ' ' CE1' ' A' ' 173' ' ' PHE . 4.4 mp0 -81.34 155.99 71.53 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.422 -179.936 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -69.0 134.47 29.65 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 C-N-CA 122.288 1.992 . . . . 0.0 112.152 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -74.78 172.63 11.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.468 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.95 102.34 13.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.464 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 137.84 -6.48 3.48 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 179' ' ' LEU . . . . . 0.564 HD23 ' O ' ' A' ' 179' ' ' LEU . 0.9 OUTLIER -54.19 -43.22 70.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.324 . . . . 0.0 110.522 179.982 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -62.92 -62.58 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.589 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -51.48 -57.17 9.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -49.8 -56.02 11.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.602 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 23.5 t -50.14 -47.82 54.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.577 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -60.91 -32.79 72.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.539 -179.931 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -68.77 -55.85 9.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.546 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 26.7 mt -65.01 -57.72 7.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.562 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 59.9 p -46.09 -38.17 7.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.6 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -63.71 -50.03 64.43 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -47.05 -51.61 17.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.834 0.35 . . . . 0.0 110.547 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 190' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 192' ' ' ALA . 0.5 OUTLIER -59.46 -61.86 2.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.614 -179.967 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 1.8 ttm105 -46.55 -16.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.536 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 192' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 190' ' ' LEU . . . -94.32 -52.44 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.717 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.5 tp -62.57 -26.57 40.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.637 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.438 HD12 HD22 ' A' ' 190' ' ' LEU . 1.0 OUTLIER -89.45 -24.59 21.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.575 -179.972 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -136.17 100.15 4.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.579 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -52.17 132.71 33.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.625 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -98.59 173.98 6.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.53 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -145.56 43.1 0.94 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 10.1 p30 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.534 -179.964 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.428 ' C ' HD12 ' A' ' 12' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.816 0.341 . . . . 0.0 110.342 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.597 HD12 ' N ' ' A' ' 12' ' ' LEU . 7.0 mp -94.57 174.67 7.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.216 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.501 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -61.7 150.91 35.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.16 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 1.1 m-20 -67.44 147.31 98.83 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.952 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.42 ' O ' ' OG1' ' A' ' 19' ' ' THR . 72.8 Cg_exo -41.1 -46.75 5.23 Favored 'Trans proline' 0 N--CA 1.49 1.32 0 C-N-CA 122.379 2.053 . . . . 0.0 112.395 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.3 -46.7 48.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.351 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 mm -48.47 -39.39 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.587 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.404 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 33.5 t80 -71.66 -56.32 6.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.751 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -54.36 -64.32 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.646 -179.823 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.7 m -46.72 -42.66 17.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.59 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.513 ' OD1' ' CD1' ' A' ' 32' ' ' TYR . 6.6 t30 -62.19 -52.27 64.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.715 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -84.4 17.54 2.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.608 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -50.09 95.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.528 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -46.36 118.26 1.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.59 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.83 68.32 0.79 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 pt -108.12 -165.92 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.848 0.356 . . . . 0.0 110.684 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.92 -27.62 0.02 OUTLIER Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.441 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 0.0 OUTLIER -172.02 120.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.374 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.441 ' CG ' ' O ' ' A' ' 28' ' ' ARG . 14.2 m-70 -164.7 -86.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.548 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -172.94 110.91 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.694 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.7 HG22 ' CG ' ' A' ' 98' ' ' TRP . 44.9 p -47.04 143.35 3.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.754 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.513 ' CD1' ' OD1' ' A' ' 21' ' ' ASN . 0.7 OUTLIER -118.6 142.4 47.67 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.649 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.7 tp -139.15 110.87 7.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.482 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.21 110.25 21.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.253 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.454 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 36.2 p90 -101.3 134.56 44.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -120.65 129.17 53.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.182 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.775 HG11 ' CE1' ' A' ' 51' ' ' HIS . 12.3 t -104.26 131.01 54.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.943 0.401 . . . . 0.0 110.799 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -143.73 152.06 40.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.369 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -107.51 140.54 40.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.431 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 mp -99.21 121.25 40.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.53 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -136.16 102.21 4.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.552 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.474 ' C ' ' H ' ' A' ' 44' ' ' THR . 59.7 t30 52.63 54.69 10.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.532 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.27 -8.88 1.84 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.474 ' H ' ' C ' ' A' ' 42' ' ' ASN . 0.2 OUTLIER -90.57 100.61 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.519 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 m -84.53 117.06 23.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.577 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.2 t -100.77 105.79 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.9 mttp -69.75 126.37 29.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.597 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 6.6 mtt -80.02 147.15 31.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.475 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.68 -50.15 5.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.57 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -102.2 71.65 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.485 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.796 ' NE2' HD22 ' A' ' 82' ' ' LEU . 31.9 t-80 -166.76 -12.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.647 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.586 HH22 HD21 ' A' ' 12' ' ' LEU . 14.2 ptt85 -100.88 170.72 8.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.609 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.454 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . -179.52 -173.32 44.54 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.649 ' O ' HD12 ' A' ' 55' ' ' LEU . 9.2 p90 -144.4 153.32 41.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 0.0 110.703 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.649 HD12 ' O ' ' A' ' 54' ' ' PHE . 3.1 mp -128.42 178.48 6.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.645 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.422 ' O ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -150.86 137.66 18.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.457 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.461 ' C ' ' ND2' ' A' ' 57' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.662 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.62 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.889 0.376 . . . . 0.0 110.615 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.0 -37.24 81.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.428 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -50.88 -45.41 60.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.2 mt -71.27 -60.15 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.682 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.6 mtp85 -51.46 -21.61 2.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.439 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 3.7 t80 -75.63 -64.65 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.661 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 tp -49.82 -19.89 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.952 0.406 . . . . 0.0 110.787 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -15.92 10.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.612 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.864 HD23 ' N ' ' A' ' 79' ' ' VAL . 0.1 OUTLIER -95.6 -8.91 33.63 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -178.65 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.864 ' N ' HD23 ' A' ' 78' ' ' LEU . 1.0 OUTLIER -58.93 -42.26 93.04 Favored Pre-proline 0 CA--C 1.53 0.206 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.914 -179.447 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 16.6 Cg_exo -64.47 -20.49 66.07 Favored 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.368 2.045 . . . . 0.0 111.852 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.5 t -87.55 -11.31 49.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.804 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.796 HD22 ' NE2' ' A' ' 51' ' ' HIS . 47.7 mt -99.14 -15.74 18.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.654 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 41.23 52.89 3.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.629 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.9 mt -38.75 155.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.762 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' A' ' 87' ' ' ALA . 62.1 m-20 -116.07 85.31 14.95 Favored Pre-proline 0 CA--C 1.531 0.227 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.501 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -49.1 -7.38 0.07 OUTLIER 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.326 2.017 . . . . 0.0 112.415 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.483 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -42.07 -35.57 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.22 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.589 ' H ' ' NE2' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -129.84 -170.88 2.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.235 179.79 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.4 mm -90.72 155.93 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 110.587 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.507 ' HB2' HG12 ' A' ' 120' ' ' VAL . 2.3 m-85 -134.88 166.44 22.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.573 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -140.93 103.66 4.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.564 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.38 117.16 42.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.088 179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.2 m -101.11 122.46 43.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.064 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.44 ' CD1' HD21 ' A' ' 122' ' ' LEU . 18.7 m0 -100.6 131.8 46.32 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.453 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.593 ' CE1' ' SG ' ' A' ' 161' ' ' CYS . 47.5 m-85 -123.95 102.75 7.94 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.97 141.07 29.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.961 -178.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.665 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 5.6 p -96.95 -24.36 15.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.75 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.7 ' CG ' HG22 ' A' ' 31' ' ' THR . 13.5 m95 -114.07 133.85 55.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.537 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.433 ' OG ' HG23 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -53.32 163.12 1.01 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.565 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -70.64 172.95 12.49 Favored 'Trans proline' 0 C--N 1.31 -1.489 0 C-N-CA 122.559 2.173 . . . . 0.0 112.216 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.584 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 30.6 p -107.77 -131.73 0.31 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.551 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.584 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -56.22 99.69 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.391 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.887 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 48.0 t -38.55 -25.17 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.804 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.521 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -85.28 -32.59 22.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.484 -179.479 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -78.02 -62.22 2.38 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.21 -69.13 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.733 0.301 . . . . 0.0 111.148 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.887 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -51.32 -54.76 23.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.77 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -42.17 -55.06 4.39 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.16 -49.12 23.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.285 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.403 ' H ' HG23 ' A' ' 110' ' ' VAL . 3.0 t -64.12 -50.65 76.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.706 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -41.8 -59.36 1.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.505 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.52 -40.41 68.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.413 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 117' ' ' ASN . 7.4 t80 -52.75 -48.83 66.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.449 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.429 ' C ' ' N ' ' A' ' 116' ' ' GLU . 17.9 mt -68.53 -53.85 20.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.424 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -46.68 -20.33 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.435 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.466 ' C ' HD22 ' A' ' 117' ' ' ASN . 0.7 OUTLIER -110.36 -30.37 7.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.035 -179.813 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.562 ' O ' HG22 ' A' ' 120' ' ' VAL . 1.9 m-80 -131.42 53.94 1.95 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.911 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.31 4.6 0.69 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.753 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.433 ' H ' ' C ' ' A' ' 117' ' ' ASN . 9.3 p80 -82.14 12.05 4.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.878 0.37 . . . . 0.0 110.467 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 117' ' ' ASN . 13.0 m -132.31 134.61 59.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.537 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -91.4 116.3 28.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.056 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.44 HD21 ' CD1' ' A' ' 94' ' ' TRP . 0.6 OUTLIER -100.94 119.76 39.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.07 -179.514 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -106.85 123.75 48.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.659 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 21.3 mm -104.71 128.16 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.026 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -126.84 114.38 17.83 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.011 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -97.44 109.86 22.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.06 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.665 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -81.82 -42.92 18.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -135.94 141.56 44.51 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.904 0.383 . . . . 0.0 110.734 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.518 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 0.5 OUTLIER -99.21 125.29 52.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.671 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 4.5 m-85 -172.62 119.68 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.44 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -153.65 -166.06 2.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.613 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -86.65 -31.71 20.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.63 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.98 162.33 44.04 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.471 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.437 ' C ' ' N ' ' A' ' 136' ' ' TYR . 39.0 Cg_endo -69.72 3.8 2.54 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.579 2.186 . . . . 0.0 112.07 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 tp -45.29 -20.25 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.504 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.437 ' N ' ' C ' ' A' ' 134' ' ' PRO . 0.0 OUTLIER -44.66 -25.72 0.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.424 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -61.37 -59.99 4.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.353 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.32 -29.1 57.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.269 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.23 -38.09 89.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.322 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.2 mp -68.24 -39.72 82.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.517 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -73.73 -60.63 2.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.541 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.469 ' SD ' ' O ' ' A' ' 103' ' ' SER . 3.2 ttm -44.8 -37.72 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.559 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.536 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 0.7 OUTLIER -74.3 -40.04 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -52.64 -41.89 64.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.516 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.35 -3.13 15.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.555 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 143' ' ' LEU . . . -90.35 -24.05 20.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.548 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 101.25 -19.08 52.84 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -54.63 159.85 2.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.788 0.328 . . . . 0.0 110.57 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . 0.423 ' O ' ' OE1' ' A' ' 149' ' ' GLN . 0.6 OUTLIER -98.07 107.1 19.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.572 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.541 ' O ' HG13 ' A' ' 150' ' ' VAL . 12.4 p -100.73 120.87 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.13 161.31 42.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.547 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.1 tp -88.11 138.03 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.585 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.543 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 2.5 ttt -42.65 135.37 2.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.621 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.57 162.1 16.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.555 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -57.06 -47.43 80.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.699 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -56.31 -38.74 71.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.555 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . 0.49 ' O ' ' SG ' ' A' ' 161' ' ' CYS . 91.0 mt-10 -69.53 -32.0 70.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.63 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.543 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.5 OUTLIER -63.39 -44.65 94.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.584 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.74 -50.27 71.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.776 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . 0.505 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -64.82 -57.8 7.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.695 -179.843 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.593 ' SG ' ' CE1' ' A' ' 95' ' ' PHE . 83.9 m -51.99 -33.05 36.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.83 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' TRP . . . . . 0.544 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 6.7 t-105 -64.17 -70.13 0.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.972 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . 0.545 ' OD1' ' ND1' ' A' ' 168' ' ' HIS . 73.2 m-20 -58.52 -17.08 18.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.603 0.24 . . . . 0.0 111.135 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.519 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 36.7 m -86.68 -43.24 12.75 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.752 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.501 ' O ' ' SD ' ' A' ' 13' ' ' MET . 48.2 m-85 -98.46 19.4 14.55 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.455 HG12 ' N ' ' A' ' 168' ' ' HIS . 94.3 t -137.56 147.09 26.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.925 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' A' ' 169' ' ' GLN . 0.4 OUTLIER -80.84 35.2 0.36 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.445 0.641 . . . . 0.0 109.357 179.219 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.621 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -45.49 -13.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.931 -179.596 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . 0.524 ' N ' ' O ' ' A' ' 167' ' ' ASP . 29.0 mt-30 48.06 12.96 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.909 0.385 . . . . 0.0 110.455 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . 0.621 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 113.98 50.54 0.51 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . 0.555 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.0 OUTLIER -127.16 150.4 72.14 Favored Pre-proline 0 CA--C 1.537 0.451 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 179.709 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -77.03 172.53 16.0 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 122.434 2.089 . . . . 0.0 112.864 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -91.43 150.71 21.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.107 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -110.2 94.3 17.9 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.819 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -81.38 145.0 14.74 Favored 'Trans proline' 0 N--CA 1.49 1.27 0 C-N-CA 122.158 1.905 . . . . 0.0 112.195 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' TRP . . . . . 0.526 ' HE1' ' CD2' ' A' ' 182' ' ' HIS . 0.2 OUTLIER -72.56 167.3 20.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.319 179.766 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.42 86.48 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 110.663 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 150.04 50.4 0.02 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 6.3 mp -77.47 -49.31 15.05 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.554 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . 0.408 ' O ' ' CG ' ' A' ' 184' ' ' GLN . 3.6 t0 -59.2 -22.35 60.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.866 0.365 . . . . 0.0 110.299 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -78.75 -61.78 1.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.18 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 182' ' ' HIS . . . . . 0.526 ' CD2' ' HE1' ' A' ' 176' ' ' TRP . 0.3 OUTLIER -66.93 -32.53 73.85 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.974 -179.362 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . 0.405 ' N ' ' ND1' ' A' ' 182' ' ' HIS . 85.0 p -67.51 -53.48 28.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.481 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . 0.408 ' CG ' ' O ' ' A' ' 180' ' ' ASP . 37.3 mm-40 -60.7 -35.11 75.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.498 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -64.55 -64.48 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.538 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 11.5 mt -54.23 -58.2 8.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.515 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 74.3 m -47.66 -37.25 12.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.53 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -64.18 -35.21 91.69 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 189' ' ' ARG . . . . . 0.657 ' CA ' ' HE ' ' A' ' 189' ' ' ARG . 0.0 OUTLIER -65.83 -56.91 9.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.328 . . . . 0.0 110.427 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.483 ' O ' HD23 ' A' ' 190' ' ' LEU . 1.2 tt -47.67 -56.14 7.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.398 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.05 -49.44 16.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.452 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 192' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -47.2 -52.82 14.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.578 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . 0.531 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -63.75 -30.16 49.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.567 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.542 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.0 t60 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.8 0.333 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.853 HD22 ' N ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -107.59 173.41 6.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.161 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 63.4 mtm -71.8 156.92 38.77 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.25 139.16 92.2 Favored Pre-proline 0 CA--C 1.537 0.469 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.403 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.408 ' O ' ' OG1' ' A' ' 19' ' ' THR . 77.7 Cg_exo -40.5 -54.25 2.37 Favored 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 122.113 1.875 . . . . 0.0 112.258 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -64.19 -47.46 79.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.973 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.415 ' O ' ' OD1' ' A' ' 21' ' ' ASN . 1.8 mm -48.87 -32.75 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.565 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -81.65 -60.43 2.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.607 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -50.88 -24.18 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.52 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 t -86.16 -42.24 14.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.566 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.684 HD22 ' NH2' ' A' ' 28' ' ' ARG . 10.6 m120 -73.36 -5.19 38.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.602 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -133.2 24.2 4.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.494 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -76.12 107.2 8.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.562 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -42.64 113.52 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.588 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.14 66.21 0.82 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -99.57 -176.36 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.598 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -165.42 1.49 0.05 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.684 ' NH2' HD22 ' A' ' 21' ' ' ASN . 0.2 OUTLIER -85.43 163.01 18.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 0.0 110.518 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -104.53 94.77 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.636 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -172.81 62.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.655 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.442 HG22 ' CD2' ' A' ' 98' ' ' TRP . 24.0 p -47.06 133.68 11.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -106.1 135.78 46.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.393 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.8 tp -134.51 107.75 7.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.328 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.589 ' SG ' ' CG ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -93.68 118.68 31.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.336 179.779 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.448 ' CE2' ' C ' ' A' ' 53' ' ' GLY . 25.9 p90 -107.17 134.04 50.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.522 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.441 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -127.78 129.41 46.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.169 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.641 HG21 ' ND1' ' A' ' 51' ' ' HIS . 86.3 t -99.34 125.93 52.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.969 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -138.27 157.04 47.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.316 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -126.33 142.55 51.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.474 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.457 HD12 ' HB ' ' A' ' 89' ' ' ILE . 59.1 mt -87.85 144.1 26.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.95 0.405 . . . . 0.0 110.691 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.32 103.16 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.599 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.42 25.06 13.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.519 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.42 -19.94 52.71 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 m -87.19 112.19 21.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.611 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 p -76.47 125.04 28.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.599 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.7 t -111.73 102.5 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.629 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.71 154.36 41.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.454 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -103.37 147.56 26.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.643 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 9.9 p-10 -91.31 -50.37 5.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.549 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.404 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -99.89 69.57 1.57 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.316 179.834 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.641 ' ND1' HG21 ' A' ' 37' ' ' VAL . 10.5 t-80 -171.51 9.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.463 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.554 HH22 ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -111.82 170.74 7.93 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.513 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.448 ' C ' ' CE2' ' A' ' 35' ' ' TYR . . . 176.85 -174.93 47.42 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -146.17 138.35 25.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.652 0.263 . . . . 0.0 110.725 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.4 mt -125.58 169.65 12.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.515 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.04 138.21 43.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.297 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.681 ' HA ' ' HB2' ' A' ' 71' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 121.061 0.458 . . . . 0.0 110.875 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.476 ' NE2' ' CD1' ' A' ' 73' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.529 0.14 0 CA-C-O 120.978 0.418 . . . . 0.0 111.102 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.681 ' HB2' ' HA ' ' A' ' 57' ' ' ASN . . . -80.95 -15.1 57.18 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.974 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.528 ' OE1' ' CZ3' ' A' ' 94' ' ' TRP . 2.2 mm-40 -41.05 -39.99 1.35 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.911 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.476 ' CD1' ' NE2' ' A' ' 70' ' ' HIS . 96.1 mt -71.03 -35.3 71.94 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.699 -0.4 . . . . 0.0 109.995 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 71' ' ' ALA . 0.5 OUTLIER -59.45 -24.24 63.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.983 179.545 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -81.14 -58.51 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.476 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.678 ' O ' HG23 ' A' ' 79' ' ' VAL . 5.0 mt -62.77 -19.74 64.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -55.44 -36.7 66.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.65 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.498 ' CD1' HD21 ' A' ' 82' ' ' LEU . 1.3 pp -79.83 4.71 15.71 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.235 -179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 76' ' ' LEU . 4.3 t -42.48 -59.85 2.57 Favored Pre-proline 0 CA--C 1.534 0.342 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.245 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.409 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 9.8 Cg_endo -52.29 -33.97 57.87 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 121.747 1.631 . . . . 0.0 111.883 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.86 -9.13 3.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.678 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.582 HD22 ' NE2' ' A' ' 51' ' ' HIS . 8.8 mt -107.95 -46.54 3.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.375 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 65.76 49.53 1.7 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.074 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.32 131.52 48.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.247 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.35 159.66 30.69 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.538 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.419 ' O ' ' O ' ' A' ' 87' ' ' ALA . 54.6 Cg_endo -71.51 3.34 3.73 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.518 2.145 . . . . 0.0 112.372 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 86' ' ' PRO . . . -42.11 -94.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.701 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.745 ' H ' ' NE2' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -93.66 -167.76 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.375 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.553 ' H ' HD12 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -94.3 160.68 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.987 0.422 . . . . 0.0 110.257 179.809 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -128.57 140.67 51.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.939 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -125.1 108.09 11.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.312 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.1 t -103.24 124.82 57.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.037 0.446 . . . . 0.0 110.205 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.65 122.72 39.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.786 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.528 ' CZ3' ' OE1' ' A' ' 72' ' ' GLU . 16.3 m0 -103.36 131.88 50.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.523 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -124.8 102.95 7.81 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.9 138.34 39.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.415 -178.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.66 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 0.5 OUTLIER -94.73 -23.88 17.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.882 179.237 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.608 ' CZ3' ' CD2' ' A' ' 130' ' ' TYR . 20.8 m95 -114.23 136.44 52.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.488 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -51.28 162.69 0.62 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.626 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' A' ' 99' ' ' SER . 53.9 Cg_exo -42.34 172.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 122.658 2.239 . . . . 0.0 112.309 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.63 -34.81 3.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.355 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.504 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.2 OUTLIER -171.48 109.21 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.694 179.708 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.497 ' O ' ' SD ' ' A' ' 142' ' ' MET . 53.4 p -42.34 -36.56 1.3 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.795 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -84.64 -19.88 32.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.259 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -86.27 -65.33 1.42 Allowed Glycine 0 CA--C 1.526 0.761 0 C-N-CA 120.102 -1.047 . . . . 0.0 111.135 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . 0.448 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -79.64 -69.51 0.58 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.747 0.308 . . . . 0.0 110.763 179.815 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -54.6 -20.82 8.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.015 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -68.83 -60.86 5.02 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.283 -1.127 . . . . 0.0 110.283 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -55.08 -23.1 18.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 110.284 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 106' ' ' CYS . 88.3 t -72.62 -62.9 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.727 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.528 ' NH2' ' CE ' ' A' ' 142' ' ' MET . 6.7 ptt180 -53.74 -30.72 45.49 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.168 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.84 -48.72 77.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.245 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -64.84 -38.88 92.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 10.4 mp -74.62 -32.75 62.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.968 0.414 . . . . 0.0 110.727 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -62.14 -36.1 80.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.116 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -100.55 -4.93 27.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.926 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.636 ' O ' HG12 ' A' ' 120' ' ' VAL . 14.1 t-20 -164.29 61.88 0.15 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.051 0.453 . . . . 0.0 110.943 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.29 2.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.254 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.526 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -75.75 3.03 10.63 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.427 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.654 HG13 ' O ' ' A' ' 120' ' ' VAL . 7.1 p -124.46 99.14 5.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.379 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -99.28 148.91 23.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.259 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 122' ' ' LEU . 0.3 OUTLIER -142.59 153.47 43.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.189 0.519 . . . . 0.0 111.644 -179.734 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.478 ' C ' HD12 ' A' ' 124' ' ' ILE . 2.9 mtp180 -107.12 135.79 48.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.067 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.478 HD12 ' C ' ' A' ' 123' ' ' ARG . 1.7 mp -105.33 132.86 51.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.822 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -128.02 115.74 18.95 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.963 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -96.61 110.6 22.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.07 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.66 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -82.86 -40.57 20.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -137.46 138.09 39.39 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.951 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -103.17 115.46 45.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.534 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.608 ' CD2' ' CZ3' ' A' ' 98' ' ' TRP . 10.7 t80 -103.51 153.29 20.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.972 0.415 . . . . 0.0 110.518 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.47 ' N ' ' OD1' ' A' ' 131' ' ' ASP . 1.1 m-20 -78.94 74.31 5.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.563 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.18 -59.95 2.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.555 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -159.85 162.14 25.21 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.441 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.469 ' C ' ' H ' ' A' ' 136' ' ' TYR . 40.8 Cg_endo -69.83 -11.44 30.76 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.533 2.155 . . . . 0.0 112.094 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.449 HD13 ' CE1' ' A' ' 102' ' ' PHE . 7.8 mt -66.42 4.57 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.622 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.469 ' H ' ' C ' ' A' ' 134' ' ' PRO . 0.5 OUTLIER -57.48 -54.8 42.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.596 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -56.69 -54.72 42.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.603 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -44.72 -53.48 7.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.618 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -48.53 -50.9 30.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.512 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.415 ' O ' HD23 ' A' ' 140' ' ' LEU . 0.8 OUTLIER -48.08 -51.0 26.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.616 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -61.79 -50.53 71.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.649 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.528 ' CE ' ' NH2' ' A' ' 111' ' ' ARG . 1.7 ttt -47.28 -49.93 22.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.619 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.8 mt -57.22 -41.52 79.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.607 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -60.14 -31.87 70.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.58 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -84.1 -13.51 52.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.554 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.6 -16.39 30.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.588 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.97 -8.16 67.67 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.35 157.93 37.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.761 0.315 . . . . 0.0 110.568 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -95.0 146.39 24.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.575 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 11.4 t -132.05 120.83 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.589 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.6 m -153.11 162.07 41.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.548 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.459 ' O ' HG23 ' A' ' 152' ' ' ILE . 1.7 tp -90.06 130.45 39.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.476 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -41.49 122.25 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.591 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.82 173.66 6.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.629 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 155' ' ' TYR . 1.2 t80 -58.86 -55.73 31.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.586 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -50.07 -44.02 51.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.447 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -62.35 -42.49 99.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.629 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -57.56 -48.94 77.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.575 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -52.3 -50.08 62.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.973 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . 0.612 ' CD2' ' N ' ' A' ' 161' ' ' CYS . 0.4 OUTLIER -67.89 -57.84 5.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.827 -179.789 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.612 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 2.5 t -52.19 -26.37 11.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.802 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' TRP . . . . . 0.633 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.0 t-105 -70.86 -70.09 0.33 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.92 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . 0.633 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -63.33 -14.3 48.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.612 -179.123 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 23.0 m -82.51 -27.26 31.85 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.911 -0.315 . . . . 0.0 111.194 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.589 ' CG ' ' SG ' ' A' ' 34' ' ' CYS . 58.4 m-85 -121.7 19.65 11.07 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.574 -179.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.519 ' C ' ' H ' ' A' ' 168' ' ' HIS . 71.1 t -135.06 155.18 37.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 121.146 0.498 . . . . 0.0 111.711 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . 0.463 ' N ' HG12 ' A' ' 166' ' ' VAL . 5.8 m-20 -75.7 32.54 0.11 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.769 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.734 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -38.02 -52.3 1.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.921 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . 0.621 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 16.2 mm-40 41.32 15.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.598 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . 0.734 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 143.58 -2.79 1.53 Allowed Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . 0.587 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 56.2 m -114.09 88.74 15.34 Favored Pre-proline 0 CA--C 1.531 0.238 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -78.68 166.81 23.3 Favored 'Trans proline' 0 C--N 1.315 -1.224 0 C-N-CA 122.076 1.851 . . . . 0.0 112.701 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -51.67 146.14 8.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.751 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -124.98 86.78 56.21 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.272 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -50.95 131.95 36.22 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.289 1.992 . . . . 0.0 112.077 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -99.6 -178.42 3.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.521 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -83.03 100.03 10.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.567 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 143.33 -25.49 2.17 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 2.2 tp -48.57 -52.85 20.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.812 0.339 . . . . 0.0 110.512 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -51.36 -50.07 60.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.582 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -57.68 -61.7 2.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.588 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -44.46 -41.1 6.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 1.3 m -63.1 -45.82 90.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.637 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -56.46 -34.97 67.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.632 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -73.04 -65.07 0.85 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.505 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 9.0 mt -46.94 -42.17 17.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.574 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 11.0 t -68.64 -37.06 79.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.614 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -55.99 -40.94 83.7 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -69.5 -56.0 8.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.808 0.337 . . . . 0.0 110.555 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -50.48 -36.82 35.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.413 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -70.92 -40.28 72.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.573 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -52.59 -54.61 30.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.569 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . 0.548 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -59.44 -45.34 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.502 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.457 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER . . . . . 0 CA--C 1.527 0.095 0 CA-C-O 120.9 0.381 . . . . 0.0 110.501 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 12' ' ' LEU . 6.8 mp -94.74 173.3 7.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.427 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.465 ' SD ' ' CE2' ' A' ' 54' ' ' PHE . 53.1 mtm -63.59 167.19 5.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.088 179.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 0.3 OUTLIER -87.24 145.63 38.29 Favored Pre-proline 0 CA--C 1.536 0.44 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.728 -179.606 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -40.55 -51.33 3.51 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.289 1.993 . . . . 0.0 112.37 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.516 ' CG ' ' N ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -61.9 -49.23 77.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.927 -179.587 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.516 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 3.5 mm -48.68 -53.88 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.057 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -58.24 -60.2 4.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.786 0.327 . . . . 0.0 110.559 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.3 p -49.24 -24.21 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.573 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.491 ' OG ' ' N ' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -69.79 -62.78 1.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.761 -179.739 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.605 ' ND2' ' CD2' ' A' ' 22' ' ' PHE . 7.8 p-10 -71.47 0.41 8.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.763 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.605 ' CD2' ' ND2' ' A' ' 21' ' ' ASN . 34.4 m-85 -133.38 22.14 4.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.485 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.29 0.4 10.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.643 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 56.55 173.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.565 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 49.82 35.73 24.82 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.524 ' CD1' ' HE1' ' A' ' 98' ' ' TRP . 10.3 pt -82.17 -167.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.321 . . . . 0.0 110.684 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.45 -39.14 0.02 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -161.63 120.03 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.716 0.293 . . . . 0.0 110.476 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -160.0 -79.79 0.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.602 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -178.86 111.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.583 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.621 HG22 ' CG ' ' A' ' 98' ' ' TRP . 61.8 p -48.8 130.93 18.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.601 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -106.33 141.1 38.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.521 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.547 HD22 ' OE2' ' A' ' 72' ' ' GLU . 12.2 tp -135.52 111.07 9.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.484 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.0 109.47 21.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.245 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 23.8 p90 -102.22 142.9 32.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.56 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.709 ' OE2' HG21 ' A' ' 164' ' ' THR . 40.9 mt-10 -132.01 143.47 50.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.506 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.746 HG11 ' CE1' ' A' ' 51' ' ' HIS . 13.4 t -111.66 123.01 67.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.548 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -137.52 138.97 40.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.584 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -95.88 145.96 24.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.539 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mp -101.34 121.34 41.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.555 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -135.34 111.71 9.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.659 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.486 ' C ' ' H ' ' A' ' 44' ' ' THR . 11.2 m-20 54.82 43.98 29.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.569 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.77 -26.94 1.11 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.486 ' H ' ' C ' ' A' ' 42' ' ' ASN . 9.4 m -72.37 113.83 9.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.773 0.32 . . . . 0.0 110.524 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.1 p -89.85 133.36 34.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.651 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.5 t -129.04 125.29 62.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.412 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.07 152.65 21.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.658 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.517 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -99.39 157.7 16.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.513 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.83 -50.34 5.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.59 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -100.15 73.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.335 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.746 ' CE1' HG11 ' A' ' 37' ' ' VAL . 9.3 t-80 -172.85 -7.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.426 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.517 ' NH2' ' O ' ' A' ' 48' ' ' MET . 8.3 ptp180 -100.65 170.89 8.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.56 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.7 176.39 47.19 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 3.9 p90 -141.02 143.39 34.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.686 0.279 . . . . 0.0 110.694 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mp -132.17 163.41 28.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.415 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.578 ' H ' ' CD2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -135.93 152.7 51.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.541 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.485 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 7.1 p-10 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.528 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.821 ' CE1' HD11 ' A' ' 73' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.822 0.344 . . . . 0.0 110.588 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -45.01 -45.43 10.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.545 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.547 ' OE2' HD22 ' A' ' 33' ' ' LEU . 5.9 mp0 -42.34 -48.72 5.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.514 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.821 HD11 ' CE1' ' A' ' 70' ' ' HIS . 28.2 mt -65.39 -54.1 33.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.614 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.04 -33.14 10.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.623 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.449 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 6.9 t80 -72.02 -50.03 31.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.681 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.47 -20.1 64.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.873 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.55 -33.88 53.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.119 -179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.652 ' C ' HD12 ' A' ' 78' ' ' LEU . 3.9 pp -98.33 8.22 45.15 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.854 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.569 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -62.99 -41.6 71.89 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 28.9 Cg_exo -58.81 -17.43 36.39 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.107 1.871 . . . . 0.0 111.824 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 85.9 p -59.35 -9.01 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.661 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.606 HD22 ' NE2' ' A' ' 51' ' ' HIS . 12.0 mt -105.67 -47.44 3.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.582 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 65.94 49.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.613 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 37.0 mt -59.53 134.12 56.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.468 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.37 159.27 33.14 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.496 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -70.52 -21.45 29.95 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.436 2.09 . . . . 0.0 112.086 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.31 -83.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.638 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.565 ' CD ' ' H ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -82.17 160.43 23.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.659 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.9 mm -89.66 155.03 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.458 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.488 ' HB2' HG22 ' A' ' 120' ' ' VAL . 12.5 m-85 -137.33 167.2 22.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.825 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -145.18 116.75 8.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.514 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.1 t -98.58 112.79 31.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.275 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.27 117.62 30.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.628 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -100.99 132.13 46.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.714 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -127.12 103.31 7.37 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.91 146.18 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.132 -177.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.656 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 29.6 p -97.42 -28.84 13.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.817 178.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.621 ' CG ' HG22 ' A' ' 31' ' ' THR . 8.2 m95 -112.22 136.57 51.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.545 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.35 162.53 0.65 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.491 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -69.59 172.93 11.58 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.631 2.22 . . . . 0.0 112.224 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.568 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 20.1 p -111.96 -139.13 0.38 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.455 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.568 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -46.66 95.91 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.491 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.891 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 36.9 m -39.36 -25.29 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.687 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.501 ' N ' ' O ' ' A' ' 102' ' ' PHE . 5.7 t90 -85.9 -31.41 22.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.574 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -78.54 -62.08 2.34 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.74 -68.78 0.39 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.785 0.326 . . . . 0.0 111.064 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.891 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -54.45 -58.47 7.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.065 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -42.16 -51.6 5.18 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.42 ' OE2' ' O ' ' A' ' 105' ' ' GLY . 15.3 mt-10 -54.21 -42.71 70.09 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.345 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 100.0 t -68.37 -38.58 79.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.564 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.521 ' NH2' ' OE1' ' A' ' 115' ' ' GLN . 44.8 ttt85 -54.04 -58.99 5.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.425 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.83 -53.87 28.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.42 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.516 ' O ' ' ND2' ' A' ' 117' ' ' ASN . 23.5 t80 -50.41 -36.85 34.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.634 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.464 ' C ' ' N ' ' A' ' 116' ' ' GLU . 3.2 mp -74.72 -58.58 3.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.616 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.521 ' OE1' ' NH2' ' A' ' 111' ' ' ARG . 14.6 mt-30 -47.88 -15.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.317 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.464 ' N ' ' C ' ' A' ' 114' ' ' LEU . 2.6 tp10 -106.41 -46.47 4.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.565 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.516 ' ND2' ' O ' ' A' ' 113' ' ' PHE . 20.7 m-80 -101.38 38.14 1.65 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.81 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -45.49 -15.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.833 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.549 ' CD2' HG23 ' A' ' 120' ' ' VAL . 1.3 p80 -76.21 13.09 0.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.52 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.549 HG23 ' CD2' ' A' ' 119' ' ' HIS . 62.8 t -131.13 144.49 37.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.46 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -91.55 148.44 22.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.599 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.497 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -132.29 112.38 12.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.439 -179.793 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.497 ' N ' HD13 ' A' ' 122' ' ' LEU . 59.1 mtp85 -120.39 117.84 28.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.013 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.6 mt -105.3 133.58 49.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.055 0.455 . . . . 0.0 111.092 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -127.75 118.0 22.95 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.75 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -95.49 112.67 24.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.232 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.656 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -84.26 -40.91 17.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.744 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.438 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -138.26 139.02 39.0 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.783 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.523 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 1.1 mt -95.64 120.92 45.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.595 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.523 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 3.7 m-85 -166.52 116.55 0.93 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.382 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -146.96 -174.67 4.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.486 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . 0.419 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 1.3 m-85 -89.14 -12.78 40.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.563 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 132' ' ' TYR . 0.5 OUTLIER -159.65 161.04 27.51 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.446 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.93 44.24 0.51 Allowed 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.494 2.129 . . . . 0.0 111.913 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.8 tp -90.08 -3.66 57.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.712 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -63.51 -28.65 70.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.577 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.86 -53.97 10.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.511 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -50.84 -35.13 30.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.47 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.729 ' HB2' ' OG ' ' A' ' 103' ' ' SER . . . -72.5 -42.12 65.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.569 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.39 -38.4 53.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.445 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.427 ' NE2' ' CG2' ' A' ' 193' ' ' ILE . 49.2 mm-40 -82.57 -60.56 2.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.758 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 3.6 ttt -47.54 -30.96 3.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.688 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 20.4 tp -76.97 -54.28 6.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.484 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.18 -24.25 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.673 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -68.26 -1.81 6.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.727 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -104.39 -23.35 13.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.559 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 105.95 -3.66 38.62 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -62.1 156.99 20.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.346 . . . . 0.0 110.482 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -93.64 133.24 37.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.59 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.21 110.39 16.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.537 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.52 162.19 37.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.757 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 5.2 mt -87.68 133.18 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.382 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 6.6 tpp -41.61 105.64 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.494 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.07 159.07 20.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.514 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -44.44 -54.71 5.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.65 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -51.62 -50.87 59.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.588 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -57.87 -44.9 86.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.616 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -52.09 -46.53 65.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.59 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 173' ' ' PHE . 1.8 tpmt? -56.71 -48.01 78.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.751 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . 0.639 ' ND1' ' N ' ' A' ' 161' ' ' CYS . 0.1 OUTLIER -64.69 -57.12 9.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.801 -179.699 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.639 ' N ' ' ND1' ' A' ' 160' ' ' HIS . 0.1 OUTLIER -54.42 -23.87 17.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 -179.327 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' TRP . . . . . 0.618 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 6.2 t-105 -75.08 -70.52 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.9 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . 0.618 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 2.1 p30 -62.69 -14.19 41.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.231 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.709 HG21 ' OE2' ' A' ' 36' ' ' GLU . 99.7 m -86.17 -24.49 26.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.458 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -121.3 16.6 11.44 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.444 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.474 HG12 ' N ' ' A' ' 168' ' ' HIS . 52.6 t -136.14 142.65 38.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.767 0.317 . . . . 0.0 110.806 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . 0.477 ' C ' ' H ' ' A' ' 169' ' ' GLN . 20.0 p-10 -80.82 42.96 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.953 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.69 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -53.27 -8.52 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.425 -179.718 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . 0.477 ' H ' ' C ' ' A' ' 167' ' ' ASP . 31.2 mt-30 46.79 13.44 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.749 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . 0.69 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 113.71 37.91 1.24 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . 0.585 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 1.7 m -127.15 81.01 70.74 Favored Pre-proline 0 C--N 1.332 -0.179 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -48.93 148.51 9.04 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 122.478 2.119 . . . . 0.0 112.278 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.519 ' CE1' ' O ' ' A' ' 174' ' ' GLN . 0.2 OUTLIER -95.61 120.16 35.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.597 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . 0.519 ' O ' ' CE1' ' A' ' 173' ' ' PHE . 21.7 mt-30 -77.51 156.33 80.96 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.364 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.24 140.98 34.92 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 122.372 2.048 . . . . 0.0 112.143 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 1.2 p90 -83.37 -173.06 4.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.414 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -87.45 86.68 7.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.623 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 144.67 -12.47 1.97 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.4 tt -51.33 -42.41 61.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.771 0.32 . . . . 0.0 110.585 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . 0.45 ' N ' ' OD1' ' A' ' 180' ' ' ASP . 1.8 m-20 -68.03 -61.16 1.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.643 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -46.53 -52.9 12.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.608 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -55.39 -53.61 54.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.515 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 68.1 m -50.21 -37.01 33.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.643 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -73.5 -55.0 6.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.605 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -47.53 -56.02 7.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.494 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 7.4 mt -56.55 -53.8 53.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.496 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 75.4 p -51.82 -29.23 18.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.471 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -66.66 -52.03 37.24 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -59.04 -56.04 27.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.818 0.342 . . . . 0.0 110.547 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -50.01 -59.31 4.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.497 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 33.9 ttm-85 -46.74 -49.66 19.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.603 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -55.15 -37.59 67.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.565 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . 0.427 ' CG2' ' NE2' ' A' ' 141' ' ' GLN . 36.5 mt -75.77 -31.9 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.578 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.586 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.468 ' C ' HD22 ' A' ' 12' ' ' LEU . 9.6 t60 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.789 0.328 . . . . 0.0 110.409 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.871 HD22 ' N ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -108.63 172.87 6.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.893 -179.861 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.0 mtm -88.88 133.19 34.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.197 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.18 145.12 13.68 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.589 -179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -41.02 -55.46 2.07 Favored 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 122.249 1.966 . . . . 0.0 112.248 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -51.03 69.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.152 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mm -48.58 -33.44 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.559 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -77.22 -60.9 2.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.521 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -46.39 -40.89 12.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.581 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.7 t -66.52 -44.3 82.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.56 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.623 ' ND2' ' CE1' ' A' ' 32' ' ' TYR . 9.8 m120 -66.93 -11.53 56.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.64 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -133.23 28.47 4.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.464 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -68.55 118.34 11.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.523 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -41.51 115.62 0.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.52 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.84 81.07 1.39 Allowed Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.77 HD12 ' NE1' ' A' ' 98' ' ' TRP . 4.5 pt -103.56 -173.98 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.84 0.352 . . . . 0.0 110.575 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.416 ' H ' ' H ' ' A' ' 28' ' ' ARG . . . 166.46 9.66 0.03 OUTLIER Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.545 ' O ' ' CZ2' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -79.35 172.42 13.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 110.715 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.458 ' ND1' ' N ' ' A' ' 29' ' ' HIS . 9.2 p-80 -105.79 60.92 0.66 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.934 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -150.72 52.71 0.87 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.66 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.6 m -46.21 137.77 5.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.517 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.623 ' CE1' ' ND2' ' A' ' 21' ' ' ASN . 1.3 m-85 -106.79 143.21 35.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.453 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.551 HD22 ' OE2' ' A' ' 72' ' ' GLU . 9.3 tp -135.74 111.95 9.73 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.49 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.414 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -105.49 115.83 30.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.869 179.306 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 26.3 p90 -112.98 147.39 37.24 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.176 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -148.91 137.18 20.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.26 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -95.84 146.08 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.673 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -144.25 118.95 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.394 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -79.52 133.48 36.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.407 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 mp -91.79 130.57 37.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.549 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -135.24 102.78 5.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.542 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 55.36 38.6 30.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.625 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.98 -27.13 9.41 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 m -72.16 122.07 20.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.524 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 p -91.67 116.86 29.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.605 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.0 t -103.03 100.67 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.549 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -78.65 125.63 29.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.485 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.6 mtm -87.9 140.52 29.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.619 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.89 -41.51 13.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.43 62.72 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.436 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.663 ' NE2' HD13 ' A' ' 82' ' ' LEU . 59.9 t-80 -170.95 2.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.517 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.424 ' H ' ' H ' ' A' ' 51' ' ' HIS . 25.6 ptt180 -101.01 151.5 21.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.579 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.81 174.85 36.68 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -145.21 141.6 28.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 110.73 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mt -126.96 177.71 6.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.416 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -136.43 145.12 44.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.603 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 56' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.593 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.764 0.316 . . . . 0.0 110.624 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.51 -31.77 72.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.344 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.551 ' OE2' HD22 ' A' ' 33' ' ' LEU . 20.4 mp0 -53.2 -52.24 59.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.385 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 73' ' ' LEU . 9.7 mp -57.46 -46.43 83.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.294 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -34.43 69.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.555 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.413 ' C ' ' N ' ' A' ' 77' ' ' ASP . 9.6 t80 -74.67 -64.36 1.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.453 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 tp -47.32 -18.99 0.13 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.67 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 75' ' ' PHE . 13.8 t70 -67.0 -53.9 26.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.647 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 pp -77.95 -14.38 59.55 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.399 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.424 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 3.8 t -48.26 -59.41 6.02 Favored Pre-proline 0 CA--C 1.534 0.355 0 C-N-CA 120.666 -0.413 . . . . 0.0 111.061 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 9.6 Cg_endo -52.3 -25.97 25.78 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 121.777 1.652 . . . . 0.0 112.057 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.2 p -53.79 -12.23 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.459 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.663 HD13 ' NE2' ' A' ' 51' ' ' HIS . 10.5 mt -94.35 -26.33 16.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.344 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.418 ' CB ' ' O ' ' A' ' 82' ' ' LEU . 5.3 tt0 75.6 28.52 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.655 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 mt -42.4 104.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.325 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.43 162.9 28.53 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.735 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.91 4.08 3.42 Favored 'Trans proline' 0 C--N 1.309 -1.54 0 C-N-CA 122.73 2.287 . . . . 0.0 112.279 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -38.75 -63.63 0.5 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.556 ' H ' ' NE2' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -127.87 179.6 5.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.389 179.739 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.2 mm -84.77 152.94 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.043 0.449 . . . . 0.0 110.556 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -135.36 172.09 13.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.548 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.617 ' NH1' ' NH2' ' A' ' 123' ' ' ARG . 8.6 ttt180 -149.69 106.7 3.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.595 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.2 t -94.0 115.49 32.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.368 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.48 121.99 42.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.749 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 32.3 m0 -100.78 131.16 46.8 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.455 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -118.79 102.82 9.1 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.94 148.3 14.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.169 0.509 . . . . 0.0 111.789 -178.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.598 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 15.5 p -96.64 -23.56 16.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.14 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.77 ' NE1' HD12 ' A' ' 26' ' ' ILE . 4.8 m95 -112.11 170.0 8.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.504 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.663 ' OG ' HG23 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -79.79 158.65 72.76 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.528 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.434 ' O ' ' O ' ' A' ' 99' ' ' SER . 56.2 Cg_exo -42.48 172.92 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.304 0 C-N-CA 122.546 2.164 . . . . 0.0 112.375 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 102' ' ' PHE . 3.4 p -152.33 100.41 2.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.437 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.633 ' HA ' HD23 ' A' ' 135' ' ' LEU . 0.1 OUTLIER 76.27 86.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.388 0.613 . . . . 0.0 109.813 -179.596 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.889 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 92.8 p -51.22 -29.83 15.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.41 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -81.71 -21.44 37.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.775 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -84.74 -58.83 2.07 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 11.9 m -78.25 -65.47 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.721 0.296 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.889 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -54.67 -25.36 26.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.708 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -70.59 -57.85 6.3 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -57.73 -40.66 80.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.19 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 85.5 t -68.79 -54.02 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.182 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -41.91 -58.79 1.92 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.241 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.85 -40.03 69.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.45 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 117' ' ' ASN . 10.2 t80 -53.96 -40.38 66.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.74 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.44 ' C ' ' N ' ' A' ' 116' ' ' GLU . 25.7 mt -75.62 -55.2 5.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.572 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -46.66 -19.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.254 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 114' ' ' LEU . 2.5 mt-10 -110.0 -38.61 5.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.644 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.569 ' O ' HG12 ' A' ' 120' ' ' VAL . 50.9 m-80 -132.59 61.73 1.66 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.908 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.26 5.66 3.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.647 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.402 ' CD2' ' C ' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -76.21 5.77 6.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.458 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.569 HG12 ' O ' ' A' ' 117' ' ' ASN . 10.2 p -122.0 142.98 36.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.355 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -91.13 117.03 29.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.357 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.568 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -105.45 120.83 42.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.488 -179.685 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.617 ' NH2' ' NH1' ' A' ' 91' ' ' ARG . 30.6 mtt180 -127.59 131.85 49.89 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.836 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.425 ' CD1' HD12 ' A' ' 122' ' ' LEU . 1.6 mp -106.23 131.86 54.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.693 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.522 ' CE1' ' OE2' ' A' ' 157' ' ' GLU . 63.5 m-85 -125.42 100.77 6.64 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.343 178.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -90.57 107.78 19.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.515 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.598 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -72.52 -39.6 67.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.423 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.544 ' CB ' HD11 ' A' ' 26' ' ' ILE . 5.6 tpp180 -131.95 164.64 25.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.177 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.663 HG23 ' OG ' ' A' ' 99' ' ' SER . 4.8 mp -124.21 114.73 42.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.821 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.523 ' CD1' ' O ' ' A' ' 129' ' ' ILE . 27.9 m-85 -153.37 109.1 3.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.434 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -140.84 -177.2 4.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.576 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -106.74 -57.47 2.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.711 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 133' ' ' ASP . 0.0 OUTLIER -98.49 162.62 21.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.573 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -70.67 12.17 0.44 Allowed 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.59 2.193 . . . . 0.0 112.202 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.633 HD23 ' HA ' ' A' ' 102' ' ' PHE . 1.1 mp -57.77 -20.13 32.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.63 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.625 ' CD1' ' N ' ' A' ' 137' ' ' LYS . 0.5 OUTLIER -53.88 -31.05 48.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.368 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.625 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 12.6 ttmt -69.34 -39.72 77.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.266 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.65 -26.62 68.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.313 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -70.79 -55.2 9.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.347 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.2 mt -54.14 -31.98 53.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.465 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 137' ' ' LYS . 2.8 mp0 -80.57 -60.7 2.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.677 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.9 mmm -52.44 -21.61 3.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.366 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 9.3 mt -78.44 -59.65 2.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.364 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -49.83 -29.39 7.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.523 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.97 -42.73 47.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.435 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.49 -24.0 65.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.507 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 96.89 65.11 0.92 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -136.99 152.36 50.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.749 0.309 . . . . 0.0 110.429 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -91.47 104.89 17.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.667 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -104.31 113.82 42.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.569 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.5 m -151.31 161.53 42.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.516 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -81.93 137.65 20.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.458 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.59 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 5.8 ttm -49.59 143.57 6.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.491 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 33.4 p -110.61 172.36 6.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.557 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -63.84 -41.17 97.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.528 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -62.07 -47.24 85.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.444 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . 0.522 ' OE2' ' CE1' ' A' ' 125' ' ' PHE . 12.6 mt-10 -59.11 -31.77 69.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.454 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.59 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.7 OUTLIER -64.72 -44.0 91.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.446 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -57.66 -47.01 83.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.634 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . 0.596 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -70.44 -55.48 8.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.677 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.596 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 9.7 t -54.29 -23.62 15.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' TRP . . . . . 0.63 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.7 t-105 -73.96 -70.3 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.973 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . 0.63 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 3.9 p30 -64.38 -14.32 55.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 -179.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 88.7 m -83.77 -24.92 30.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.928 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -121.13 18.74 11.6 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.147 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.501 ' C ' ' H ' ' A' ' 168' ' ' HIS . 72.4 t -139.15 132.63 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.859 0.361 . . . . 0.0 110.803 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . 0.5 ' C ' ' H ' ' A' ' 169' ' ' GLN . 2.0 p30 -72.56 41.06 0.09 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.172 0.51 . . . . 0.0 109.763 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.689 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -52.51 -8.72 0.09 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.304 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . 0.5 ' H ' ' C ' ' A' ' 167' ' ' ASP . 39.9 mm-40 46.68 14.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.559 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . 0.689 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 112.58 37.56 1.42 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . 0.559 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 2.4 m -127.1 80.64 71.26 Favored Pre-proline 0 C--N 1.333 -0.148 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -52.02 165.39 0.88 Allowed 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.616 2.21 . . . . 0.0 112.227 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.533 ' CE2' ' O ' ' A' ' 174' ' ' GLN . 0.0 OUTLIER -122.79 134.46 54.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.189 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . 0.533 ' O ' ' CE2' ' A' ' 173' ' ' PHE . 11.1 mt-30 -91.51 152.57 43.67 Favored Pre-proline 0 C--N 1.33 -0.281 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.456 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -71.94 153.69 58.17 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.263 1.976 . . . . 0.0 112.194 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' TRP . . . . . 0.566 ' CE2' ' CD2' ' A' ' 179' ' ' LEU . 14.6 p90 -84.47 132.64 34.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.492 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -45.33 95.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.564 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 176' ' ' TRP . . . 154.05 -15.46 0.59 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . 0.566 ' CD2' ' CE2' ' A' ' 176' ' ' TRP . 0.2 OUTLIER -47.77 -47.9 30.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.768 0.318 . . . . 0.0 110.514 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . 0.405 ' CG ' ' N ' ' A' ' 181' ' ' GLU . 17.7 p-10 -53.08 -53.04 56.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.64 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . 0.405 ' N ' ' CG ' ' A' ' 180' ' ' ASP . 44.9 mt-10 -61.52 -54.05 48.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.756 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -51.87 -60.78 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.628 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 92.0 p -45.05 -43.54 9.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.06 -36.53 79.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.541 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -71.77 -58.63 3.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.593 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 42.9 mt -59.43 -61.28 2.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.609 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 24.0 p -49.86 -36.58 27.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -55.65 -51.48 54.66 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 189' ' ' ARG . . . . . 0.568 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 1.5 mtm180 -59.34 -61.52 2.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.759 0.314 . . . . 0.0 110.694 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.4 tp -45.37 -53.54 8.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.605 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 18.7 mmm-85 -54.6 -29.18 50.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 192' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -64.71 -47.85 76.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.456 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . 0.534 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -59.64 -35.2 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.505 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 67.4 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.657 -179.948 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.438 ' N ' ' CD2' ' A' ' 11' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.76 0.314 . . . . 0.0 110.546 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.664 HD23 ' N ' ' A' ' 166' ' ' VAL . 8.6 mp -107.38 173.65 6.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.243 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.484 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 0.5 OUTLIER -62.71 157.49 20.87 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.63 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.81 150.13 58.37 Favored Pre-proline 0 CA--C 1.534 0.335 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.698 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -41.85 -55.45 2.38 Favored 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.209 1.939 . . . . 0.0 112.148 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -52.27 -51.07 60.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.189 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.4 mm -51.69 -34.54 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.859 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -82.44 -61.27 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.948 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.76 -24.17 8.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.693 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.9 p -82.4 -62.76 1.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.713 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.487 ' ND2' ' CE2' ' A' ' 22' ' ' PHE . 2.0 t30 -54.18 -33.37 57.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.553 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.487 ' CE2' ' ND2' ' A' ' 21' ' ' ASN . 56.9 m-85 -103.66 24.49 11.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.574 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -68.46 74.05 0.24 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.537 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 m120 46.72 -136.5 0.79 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.542 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.68 136.95 48.81 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.3 pt -134.28 -175.58 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.654 0.264 . . . . 0.0 110.352 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 175.57 44.97 0.06 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.778 ' HE ' ' H ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -125.99 142.06 51.68 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.871 0.367 . . . . 0.0 110.166 179.523 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.412 ' ND1' ' N ' ' A' ' 29' ' ' HIS . 7.7 m80 -63.61 80.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.763 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -166.9 36.96 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.592 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.784 HG22 ' CD2' ' A' ' 98' ' ' TRP . 3.1 p -46.52 155.79 0.21 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -122.26 145.13 48.51 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.719 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.705 HD22 ' OE2' ' A' ' 72' ' ' GLU . 7.2 tp -139.94 111.97 7.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.146 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.435 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -104.25 131.91 51.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.089 179.592 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.599 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 10.3 p90 -127.28 135.37 50.48 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.128 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.494 ' OE1' HG21 ' A' ' 164' ' ' THR . 0.1 OUTLIER -135.98 136.96 40.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.898 179.443 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -95.52 144.29 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.005 0.431 . . . . 0.0 110.9 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -147.1 118.39 7.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.347 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.5 ptt85 -86.75 148.75 25.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.476 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mt -103.6 99.46 9.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.607 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.62 100.48 12.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.594 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.487 HD22 ' N ' ' A' ' 42' ' ' ASN . 1.1 m-80 50.53 58.02 5.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.64 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 71.85 -6.51 9.32 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.97 102.5 15.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 110.58 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.33 103.58 3.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.563 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.7 t -101.29 106.34 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.566 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -80.86 137.7 36.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.451 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.5 mtm -102.33 141.62 34.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.694 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -92.34 -50.47 5.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.616 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -76.72 49.81 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.306 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.765 ' NE2' HD12 ' A' ' 82' ' ' LEU . 40.2 t-80 -169.91 67.02 0.05 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.22 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.635 ' NH2' HD21 ' A' ' 12' ' ' LEU . 25.2 ptt85 -166.89 167.55 14.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.289 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -168.67 -174.88 37.72 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 9.6 p90 -152.7 135.84 15.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.689 0.28 . . . . 0.0 110.707 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mp -126.05 163.15 23.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.461 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -128.8 143.58 50.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.488 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 t30 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.552 -179.904 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.626 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.895 0.378 . . . . 0.0 110.513 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.16 -29.13 65.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.455 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.705 ' OE2' HD22 ' A' ' 33' ' ' LEU . 3.4 mp0 -51.2 -47.07 62.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.612 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 25.2 mt -69.47 -58.07 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.807 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 48.8 mtt-85 -44.2 -43.72 7.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.691 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.599 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 32.5 t80 -61.58 -51.18 69.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.593 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.5 tp -56.59 -19.47 16.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.471 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.9 -45.2 68.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.476 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.85 3.81 55.01 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.304 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.455 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.6 t -55.72 -49.19 94.21 Favored Pre-proline 0 CA--C 1.535 0.388 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.077 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 36.4 Cg_endo -70.66 -16.47 33.78 Favored 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 121.337 1.358 . . . . 0.0 111.745 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.2 p -56.75 -22.09 33.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.216 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.765 HD12 ' NE2' ' A' ' 51' ' ' HIS . 4.0 mm? -72.42 -38.9 68.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.178 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.486 ' CB ' ' O ' ' A' ' 82' ' ' LEU . 4.0 tt0 81.59 46.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.877 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.414 HD23 ' CE2' ' A' ' 90' ' ' TYR . 1.3 mp -68.06 155.95 38.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.21 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -122.26 159.05 53.85 Favored Pre-proline 0 CA--C 1.53 0.181 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.567 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -74.84 -1.98 11.9 Favored 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.46 2.107 . . . . 0.0 112.227 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.474 ' HB1' ' NE2' ' A' ' 88' ' ' GLN . . . -40.1 -77.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.786 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.596 ' N ' ' NE2' ' A' ' 88' ' ' GLN . 0.2 OUTLIER -107.98 179.84 4.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.322 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.0 mm -84.62 153.33 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.377 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.604 ' HB2' HG22 ' A' ' 120' ' ' VAL . 20.5 m-85 -126.12 143.79 50.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.914 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.714 HH12 HE22 ' A' ' 149' ' ' GLN . 1.6 ttt-85 -128.59 103.9 7.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.497 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.2 t -95.41 127.54 47.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.055 0.455 . . . . 0.0 110.432 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.3 120.55 39.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.972 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -100.84 132.51 46.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.252 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -124.84 103.71 8.22 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.81 146.5 16.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.43 . . . . 0.0 112.05 -177.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.675 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 0.4 OUTLIER -96.9 -25.69 15.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.756 178.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.784 ' CD2' HG22 ' A' ' 31' ' ' THR . 19.9 m95 -112.87 143.56 43.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.111 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.433 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.4 OUTLIER -74.79 164.51 60.89 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.605 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 99' ' ' SER . 71.1 Cg_exo -42.27 171.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.549 2.166 . . . . 0.0 112.202 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -124.05 -48.53 1.87 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.299 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.525 ' O ' ' N ' ' A' ' 105' ' ' GLY . 2.4 t80 -140.38 106.56 5.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.829 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.881 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 89.1 p -40.5 -35.25 0.43 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.046 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -84.78 -23.68 29.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.312 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -84.79 -62.0 1.72 Allowed Glycine 0 CA--C 1.526 0.745 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.236 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.69 -62.84 1.31 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.654 0.264 . . . . 0.0 110.966 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.881 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -57.42 -37.75 73.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.92 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -56.59 -62.71 6.05 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -51.46 -41.13 60.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.766 0.317 . . . . 0.0 110.712 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 92.8 t -68.2 -34.96 69.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.702 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -62.45 -58.95 5.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.567 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -48.96 -51.45 30.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.402 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.52 ' O ' ' N ' ' A' ' 117' ' ' ASN . 41.3 t80 -52.78 -47.83 67.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.592 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.408 ' C ' ' N ' ' A' ' 116' ' ' GLU . 2.1 mt -63.33 -58.69 6.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.717 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -48.06 -19.6 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.547 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 114' ' ' LEU . 4.2 tp10 -107.61 -27.31 10.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 113' ' ' PHE . 33.7 m120 -117.51 40.1 3.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 16.2 p -45.14 -22.57 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.795 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.78 ' CD2' HG23 ' A' ' 120' ' ' VAL . 0.1 OUTLIER -77.67 8.9 3.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.931 0.396 . . . . 0.0 110.508 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.78 HG23 ' CD2' ' A' ' 119' ' ' HIS . 40.2 t -135.24 97.54 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.545 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -96.59 148.89 22.37 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.595 HD12 ' O ' ' A' ' 122' ' ' LEU . 0.3 OUTLIER -143.62 153.31 42.39 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.858 -179.678 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.617 ' C ' HD12 ' A' ' 124' ' ' ILE . 7.9 ttp180 -114.35 146.51 40.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.079 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.617 HD12 ' C ' ' A' ' 123' ' ' ARG . 1.8 mp -112.82 140.02 34.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.097 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -127.5 99.03 5.44 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.167 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -78.54 114.33 17.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.602 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.675 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -85.24 -42.48 14.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.653 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.48 HH22 ' CE1' ' A' ' 182' ' ' HIS . 0.1 OUTLIER -137.07 152.96 50.64 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.959 -179.769 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -113.69 132.37 62.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.487 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -177.63 126.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.502 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.457 ' C ' ' H ' ' A' ' 133' ' ' ASP . 0.6 OUTLIER 174.59 133.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.527 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.72 10.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.498 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.513 ' C ' ' H ' ' A' ' 135' ' ' LEU . 69.3 m-20 -124.8 79.86 63.32 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.541 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.5 ' C ' ' H ' ' A' ' 136' ' ' TYR . 51.4 Cg_exo -51.61 -1.81 0.06 OUTLIER 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.723 2.282 . . . . 0.0 112.622 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.513 ' H ' ' C ' ' A' ' 133' ' ' ASP . 2.1 mt -54.36 -6.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.735 0.303 . . . . 0.0 110.727 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.503 ' CG ' ' N ' ' A' ' 137' ' ' LYS . 0.4 OUTLIER -43.04 -38.7 2.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.87 -179.854 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.503 ' N ' ' CG ' ' A' ' 136' ' ' TYR . 2.6 ptpt -51.11 -60.4 3.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.495 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -54.73 -36.64 64.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.483 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.53 -30.93 71.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.563 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.441 HD11 HG11 ' A' ' 150' ' ' VAL . 0.1 OUTLIER -69.42 -49.15 57.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.474 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.69 -53.29 14.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.509 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -45.34 -54.92 6.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.389 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 36.7 tp -56.83 -44.38 82.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.577 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -55.37 -23.64 25.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.621 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -84.81 3.15 39.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -101.62 -15.03 17.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.563 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 106.81 -26.78 18.4 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -56.95 158.25 5.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.515 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . 0.714 HE22 HH12 ' A' ' 91' ' ' ARG . 0.3 OUTLIER -104.61 146.13 29.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.664 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.441 HG11 HD11 ' A' ' 140' ' ' LEU . 46.6 t -132.09 126.67 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.496 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.26 161.92 41.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.628 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.493 HG21 ' OG ' ' A' ' 187' ' ' SER . 1.1 tp -87.11 149.94 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.424 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 8.6 mmm -56.89 153.88 10.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.801 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 21.5 p -132.15 142.52 49.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.319 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -40.69 -47.13 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.688 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.46 -53.93 52.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.461 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -54.41 -33.33 59.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.391 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.7 -39.47 94.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.33 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -61.24 -45.55 94.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.462 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . 0.6 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -70.12 -53.23 18.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.445 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.6 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 4.6 t -58.35 -23.55 57.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.655 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' TRP . . . . . 0.572 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 4.8 t-105 -71.74 -64.75 0.87 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . 0.572 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -69.1 -14.22 62.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.385 -179.208 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.518 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 96.3 m -85.02 -23.71 28.52 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.323 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.484 ' O ' ' SD ' ' A' ' 13' ' ' MET . 11.2 m-85 -121.54 18.76 11.26 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.524 -179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.664 ' N ' HD23 ' A' ' 12' ' ' LEU . 88.5 t -137.54 132.84 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.246 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' A' ' 169' ' ' GLN . 1.4 p-10 -73.68 36.36 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.168 0.509 . . . . 0.0 109.901 179.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.706 ' CG ' ' H ' ' A' ' 171' ' ' CYS . 0.3 OUTLIER -49.25 -11.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.932 -179.601 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . 0.483 ' H ' ' C ' ' A' ' 167' ' ' ASP . 1.9 mt-30 49.3 9.75 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.922 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . 0.652 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 122.18 37.74 0.63 Allowed Glycine 0 CA--C 1.528 0.852 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . 0.706 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.6 OUTLIER -127.54 88.81 52.77 Favored Pre-proline 0 CA--C 1.536 0.414 0 N-CA-C 110.501 -0.185 . . . . 0.0 110.501 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -75.39 131.97 14.41 Favored 'Trans proline' 0 C--N 1.315 -1.22 0 C-N-CA 121.73 1.62 . . . . 0.0 112.171 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.528 ' O ' ' CD1' ' A' ' 173' ' ' PHE . 0.0 OUTLIER -81.68 146.0 30.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.786 -179.657 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . 0.485 ' O ' ' CE2' ' A' ' 173' ' ' PHE . 0.0 OUTLIER -94.46 157.27 37.56 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.445 -179.759 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -69.19 132.36 24.06 Favored 'Trans proline' 0 N--CA 1.492 1.441 0 C-N-CA 122.489 2.126 . . . . 0.0 112.054 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -70.32 153.73 42.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.58 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.85 86.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.536 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 158.3 -25.84 0.4 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . 0.474 ' O ' HD23 ' A' ' 179' ' ' LEU . 0.7 OUTLIER -41.78 -43.75 3.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.832 0.349 . . . . 0.0 110.606 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.19 -62.77 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.666 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -58.75 -55.28 37.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.497 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 182' ' ' HIS . . . . . 0.48 ' CE1' HH22 ' A' ' 128' ' ' ARG . 16.6 m-70 -45.4 -54.01 7.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.506 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 63.5 p -50.72 -48.59 58.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.626 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -60.8 -37.13 80.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.584 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -70.91 -65.18 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.615 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 3.5 mt -52.18 -52.56 51.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.581 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . 0.493 ' OG ' HG21 ' A' ' 152' ' ' ILE . 8.7 m -60.51 -37.79 82.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.537 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -53.02 -53.92 31.5 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -56.5 -50.67 71.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.843 0.354 . . . . 0.0 110.612 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -59.7 -29.48 68.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.482 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 13.6 ttm-85 -78.69 -20.43 50.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -80.34 -51.3 9.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.653 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . 0.583 HG23 ' N ' ' A' ' 194' ' ' LEU . 16.1 tt -62.27 -46.41 96.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.586 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . 0.583 ' N ' HG23 ' A' ' 193' ' ' ILE . 4.0 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.522 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.594 ' N ' ' CD2' ' A' ' 11' ' ' HIS . 0.9 OUTLIER . . . . . 0 N--CA 1.464 0.261 0 CA-C-O 121.665 0.745 . . . . 0.0 109.119 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.617 HD12 ' C ' ' A' ' 166' ' ' VAL . 0.1 OUTLIER -100.04 166.68 10.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.471 -1.24 . . . . 0.0 109.394 -179.061 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.6 ptp -62.09 168.02 3.57 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.824 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.91 154.83 75.51 Favored Pre-proline 0 CA--C 1.536 0.416 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.069 -178.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -43.21 -56.06 2.5 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.552 2.168 . . . . 0.0 112.455 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -51.01 71.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.853 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.2 mm -48.95 -31.39 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.681 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -82.44 -61.04 2.0 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.68 -33.28 22.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.719 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.3 p -80.67 -36.56 32.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.457 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.536 ' ND2' ' CG ' ' A' ' 32' ' ' TYR . 10.9 t30 -67.66 -35.03 78.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.56 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -105.22 18.35 22.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.591 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -43.79 113.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.597 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.451 ' OD1' ' NH1' ' A' ' 128' ' ' ARG . 12.0 t30 -46.26 118.33 1.89 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.619 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.46 98.61 0.04 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.463 HD11 ' CD2' ' A' ' 130' ' ' TYR . 1.2 pp -111.18 -175.68 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.859 0.362 . . . . 0.0 110.636 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.09 -8.89 0.07 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.521 ' CD ' ' H ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -83.49 173.13 11.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.828 0.347 . . . . 0.0 110.787 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -107.54 69.52 0.75 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.558 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.414 ' HZ3' ' HB3' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -136.44 51.24 2.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.782 0.325 . . . . 0.0 110.582 179.846 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.776 HG22 ' CD2' ' A' ' 98' ' ' TRP . 71.5 p -46.5 131.92 10.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.708 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.536 ' CG ' ' ND2' ' A' ' 21' ' ' ASN . 0.5 OUTLIER -107.67 142.87 36.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.832 -179.828 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.657 HD23 ' C ' ' A' ' 33' ' ' LEU . 6.1 tt -139.31 116.18 10.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.527 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -105.65 147.04 28.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.412 179.853 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -134.69 140.57 46.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.068 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -144.15 129.38 18.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.298 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.408 ' CG1' ' SD ' ' A' ' 48' ' ' MET . 1.4 p -99.4 142.87 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.794 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -140.09 129.57 24.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.374 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -80.75 134.1 35.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.54 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mp -96.4 130.78 43.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.478 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -151.46 107.33 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.484 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.1 m120 52.9 46.74 26.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.538 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.64 14.21 66.95 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 m -103.22 106.81 17.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.713 0.292 . . . . 0.0 110.597 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.411 ' O ' ' OG ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -82.32 107.74 15.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.576 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.427 ' O ' HG12 ' A' ' 46' ' ' VAL . 25.5 t -102.78 98.42 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.579 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -70.26 128.42 36.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.549 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.518 ' O ' ' NE ' ' A' ' 52' ' ' ARG . 56.9 mtt -66.06 163.02 18.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.494 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.47 -49.96 4.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.507 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -108.7 77.08 1.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.532 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.408 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 53.0 t-80 -167.78 1.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.635 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.6 ' NH1' HG21 ' A' ' 164' ' ' THR . 10.5 mtt180 -100.71 135.33 42.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.377 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.57 -166.18 14.41 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -167.53 140.83 3.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.74 0.305 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.1 mt -122.04 178.37 4.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.382 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.543 ' C ' ' HB2' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -139.23 153.6 47.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.553 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.45 ' N ' ' HB2' ' A' ' 71' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.533 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.837 0.351 . . . . 0.0 110.518 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.543 ' HB2' ' C ' ' A' ' 56' ' ' HIS . . . -50.19 -30.82 12.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.588 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -54.1 -64.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.653 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.4 mt -42.9 -41.08 3.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.684 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -63.06 -41.03 99.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.636 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.413 ' CE1' ' CG2' ' A' ' 79' ' ' VAL . 2.0 t80 -65.87 -45.54 81.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.584 HD22 ' OE1' ' A' ' 109' ' ' GLU . 2.6 tp -65.18 -20.14 66.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.588 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -69.39 -33.11 72.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.185 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.679 ' C ' HD12 ' A' ' 78' ' ' LEU . 3.7 pp -103.39 3.0 34.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.704 0.287 . . . . 0.0 111.03 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.432 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.5 t -55.93 -48.89 95.75 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 43.4 Cg_endo -73.49 -17.24 23.87 Favored 'Trans proline' 0 N--CA 1.489 1.26 0 C-N-CA 121.471 1.448 . . . . 0.0 111.817 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.57 -11.71 54.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.338 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.3 mt -85.59 6.22 28.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.526 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 46.38 41.02 8.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.695 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.7 mt -40.96 145.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.52 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -116.78 84.98 16.38 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.483 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.468 ' O ' ' N ' ' A' ' 88' ' ' GLN . 50.6 Cg_exo -50.76 -10.89 0.33 Allowed 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.335 2.024 . . . . 0.0 112.159 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.74 -23.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.456 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 86' ' ' PRO . 0.2 OUTLIER -139.57 178.87 6.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.342 179.876 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.1 mm -89.12 156.29 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.628 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -146.84 179.1 7.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.431 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -148.16 115.62 6.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.88 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.0 t -94.02 108.77 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.143 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.13 117.25 27.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.788 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -102.53 131.47 49.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.605 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.403 ' CE2' ' SG ' ' A' ' 161' ' ' CYS . 48.9 m-85 -124.64 102.95 7.86 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 178.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.85 141.81 23.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.72 -178.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.652 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 1.8 p -96.1 -23.05 16.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.676 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.776 ' CD2' HG22 ' A' ' 31' ' ' THR . 18.5 m95 -115.41 135.08 54.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.582 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.65 162.15 0.31 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.418 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -68.49 159.57 52.9 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.555 2.17 . . . . 0.0 112.097 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.6 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 10.4 p -100.83 -149.13 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.493 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.6 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -41.23 107.72 0.08 Allowed 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.202 0.525 . . . . 0.0 109.806 179.583 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.526 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 97.9 p -41.54 -24.56 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.624 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.452 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.2 OUTLIER -84.81 -26.26 27.6 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.573 -179.311 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -84.86 -61.9 1.73 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . 0.561 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.9 OUTLIER -75.66 -61.75 1.81 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.645 0.26 . . . . 0.0 111.655 -179.281 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -68.85 -35.6 77.13 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.253 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -64.47 -60.27 7.26 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.584 ' OE1' HD22 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -58.41 -29.11 65.83 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.313 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 106' ' ' CYS . 39.4 t -75.77 -36.43 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.116 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -62.84 -58.97 5.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.125 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.51 -50.93 51.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.274 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -50.44 -37.8 39.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.256 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.482 HD11 ' CB ' ' A' ' 122' ' ' LEU . 2.1 mt -73.66 -58.35 3.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.35 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -46.7 -16.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.409 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.464 ' N ' ' C ' ' A' ' 114' ' ' LEU . 1.7 tm-20 -107.91 -44.49 4.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.61 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.491 ' O ' ' N ' ' A' ' 119' ' ' HIS . 2.0 m-80 -98.89 35.43 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.77 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.443 ' C ' ' H ' ' A' ' 120' ' ' VAL . 0.0 OUTLIER -45.53 -15.66 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.831 -179.781 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.529 ' O ' ' ND1' ' A' ' 119' ' ' HIS . 4.7 p80 -76.23 17.1 0.38 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.958 0.409 . . . . 0.0 110.289 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.443 ' H ' ' C ' ' A' ' 118' ' ' THR . 42.7 t -139.37 140.33 37.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.374 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.57 ' NH1' ' NE2' ' A' ' 149' ' ' GLN . 3.1 mmp_? -91.52 120.28 32.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.442 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.487 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -99.14 112.33 24.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.567 -179.665 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.487 ' N ' HD13 ' A' ' 122' ' ' LEU . 35.8 mtp180 -117.08 118.82 33.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.141 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 11.3 mt -105.49 137.09 36.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.025 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -130.61 110.53 11.47 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.611 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -89.6 113.66 25.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.358 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.652 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -85.17 -45.39 12.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.784 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.515 ' NH2' HD11 ' A' ' 186' ' ' LEU . 0.0 OUTLIER -131.86 142.61 49.74 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.872 0.367 . . . . 0.0 110.725 179.897 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.8 mt -103.81 107.49 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.545 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.463 ' CD2' HD11 ' A' ' 26' ' ' ILE . 6.0 m-85 -148.76 117.53 6.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.586 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -146.22 -168.01 2.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.525 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -104.87 -23.56 12.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.691 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.468 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.2 OUTLIER -143.58 160.95 49.15 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.547 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.18 25.13 0.19 Allowed 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.606 2.204 . . . . 0.0 112.205 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.468 ' H ' ' C ' ' A' ' 133' ' ' ASP . 4.7 tt -61.44 -23.94 66.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.53 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.595 ' CD1' ' N ' ' A' ' 137' ' ' LYS . 0.6 OUTLIER -48.15 -27.92 2.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.585 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.595 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 28.3 tttt -61.68 -61.82 2.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.564 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -49.64 -41.75 43.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.527 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.19 -46.05 91.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.546 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.66 -53.07 26.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -35.47 76.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.609 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -34.61 72.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.655 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 146' ' ' ALA . 7.6 mt -75.68 -51.09 13.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.578 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 40.6 ttt-85 -44.88 -38.6 4.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.531 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.75 -26.93 60.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.596 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -77.99 -4.37 46.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.607 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 69.06 8.58 58.61 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -75.52 150.5 38.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 110.55 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . 0.57 ' NE2' ' NH1' ' A' ' 121' ' ' ARG . 3.8 mt-30 -83.62 128.46 34.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.569 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.06 118.45 37.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.454 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.33 162.07 38.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.608 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.515 ' O ' HG23 ' A' ' 152' ' ' ILE . 1.1 tp -88.38 125.75 41.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.5 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.584 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 9.1 ttt -42.33 115.17 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.592 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 41.9 p -98.85 174.07 6.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.562 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -40.51 94.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.663 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -58.88 -58.67 7.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.344 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . 0.457 ' OE1' ' CA ' ' A' ' 157' ' ' GLU . 0.0 OUTLIER -51.9 -35.02 44.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.225 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.584 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 0.7 OUTLIER -62.83 -55.05 29.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.371 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -43.93 -47.82 8.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.623 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . 0.422 ' O ' ' OG1' ' A' ' 164' ' ' THR . 0.0 OUTLIER -69.11 -46.36 67.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.934 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.403 ' SG ' ' CE2' ' A' ' 95' ' ' PHE . 0.8 OUTLIER -60.29 -64.21 1.03 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.943 -179.545 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' TRP . . . . . 0.478 ' CD1' ' N ' ' A' ' 173' ' ' PHE . 1.2 t-105 -50.86 -32.85 21.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -75.92 -39.44 56.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.137 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.6 HG21 ' NH1' ' A' ' 52' ' ' ARG . 1.7 m -87.21 -16.1 36.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.173 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -107.48 17.08 23.17 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -178.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.617 ' C ' HD12 ' A' ' 12' ' ' LEU . 45.1 t -143.4 112.73 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.529 -0.469 . . . . 0.0 111.105 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . 0.479 ' HB3' ' H ' ' A' ' 12' ' ' LEU . 24.4 p-10 -72.36 52.66 0.27 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.95 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.52 ' CE1' ' O ' ' A' ' 171' ' ' CYS . 2.8 p-80 -93.99 -25.87 17.05 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.358 -0.537 . . . . 0.0 111.112 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 168' ' ' HIS . 59.5 mm-40 37.41 74.24 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.086 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 138.87 -17.48 3.22 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.97 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . 0.52 ' O ' ' CE1' ' A' ' 168' ' ' HIS . 5.2 t -113.35 88.47 12.95 Favored Pre-proline 0 CA--C 1.534 0.339 0 CA-C-N 116.854 0.327 . . . . 0.0 110.943 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -79.14 166.66 22.6 Favored 'Trans proline' 0 C--N 1.314 -1.245 0 C-N-CA 122.001 1.801 . . . . 0.0 112.043 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.478 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 29.4 t80 -51.63 134.11 30.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -118.7 84.9 26.08 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.474 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_exo -48.18 131.27 21.89 Favored 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 122.265 1.977 . . . . 0.0 112.206 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 12.6 p90 -104.06 163.8 12.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.475 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -65.51 102.1 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.548 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 141.93 -29.71 2.19 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 1.4 tp -53.52 -28.15 29.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.747 0.308 . . . . 0.0 110.541 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . 0.417 ' CG ' ' H ' ' A' ' 181' ' ' GLU . 7.3 p-10 -74.9 -62.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.67 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . 0.417 ' H ' ' CG ' ' A' ' 180' ' ' ASP . 32.6 mt-10 -52.73 -51.38 60.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.614 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -51.21 -57.47 8.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.584 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 60.7 p -54.86 -31.97 60.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.634 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -63.57 -38.15 90.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.603 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -67.83 -53.5 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.636 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . 0.515 HD11 ' NH2' ' A' ' 128' ' ' ARG . 37.0 mt -59.38 -54.29 48.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.633 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 87.8 p -51.05 -36.56 40.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.553 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -66.8 -39.54 93.54 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -57.66 -47.68 81.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.33 . . . . 0.0 110.576 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.83 -43.44 98.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.57 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -70.74 -16.32 62.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.595 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -81.43 -38.26 26.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.597 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 3.4 tt -90.75 -26.64 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.656 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 2.6 tp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.603 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.8 t60 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.869 0.366 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.86 HD22 ' N ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -104.79 174.07 6.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.284 179.686 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.5 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -69.41 169.13 12.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.617 179.381 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -73.32 123.19 89.23 Favored Pre-proline 0 CA--C 1.539 0.537 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.877 -179.289 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.438 ' O ' ' OG1' ' A' ' 19' ' ' THR . 80.9 Cg_exo -42.04 -17.64 0.07 OUTLIER 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 121.925 1.75 . . . . 0.0 112.138 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 14' ' ' ASP . 9.1 t60 -77.55 -57.8 3.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.648 -179.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.6 pp -57.0 -21.26 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 120.741 -0.383 . . . . 0.0 110.38 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -77.14 -60.98 2.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.451 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -55.63 -24.12 31.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.607 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 m -85.39 -46.91 10.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.731 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.465 ' OD1' ' CE1' ' A' ' 32' ' ' TYR . 10.6 m120 -65.0 -9.94 25.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.744 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -130.37 27.07 5.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.574 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.06 4.01 6.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.548 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 61.54 150.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.546 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 53.04 97.94 0.01 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -148.04 169.85 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.874 0.368 . . . . 0.0 110.652 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.59 16.09 0.96 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.42 HH21 HD22 ' A' ' 21' ' ' ASN . 0.3 OUTLIER -99.53 154.84 17.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.821 0.343 . . . . 0.0 110.742 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -87.94 99.47 12.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.696 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.4 tttt -173.0 34.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.393 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.78 HG22 ' CD2' ' A' ' 98' ' ' TRP . 2.7 p -46.71 160.68 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.004 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.465 ' CE1' ' OD1' ' A' ' 21' ' ' ASN . 1.0 OUTLIER -134.59 145.04 48.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.285 179.662 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.672 HD23 ' C ' ' A' ' 33' ' ' LEU . 6.6 tt -139.19 123.1 17.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.693 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.594 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -111.88 116.51 30.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.398 179.64 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.508 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 4.4 p90 -109.68 143.36 39.56 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.733 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -132.91 160.08 38.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.297 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.607 HG21 ' CE1' ' A' ' 51' ' ' HIS . 27.3 t -129.7 130.77 66.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.571 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -136.92 128.31 28.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.601 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -81.37 125.76 30.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.429 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.63 119.47 26.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.607 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.82 114.67 6.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.597 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.666 HD22 ' N ' ' A' ' 42' ' ' ASN . 0.7 OUTLIER 54.82 39.38 31.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.604 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.52 -20.26 2.24 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.454 ' H ' ' C ' ' A' ' 42' ' ' ASN . 19.1 m -77.12 111.18 12.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.552 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.8 p -90.35 110.44 21.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.563 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.679 ' O ' HG23 ' A' ' 46' ' ' VAL . 25.7 m -99.99 108.82 23.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.572 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.65 127.38 32.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.569 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 50.9 mtm -91.21 147.58 22.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.509 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -87.01 -50.25 6.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.643 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -81.6 56.66 3.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.417 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.607 ' CE1' HG21 ' A' ' 37' ' ' VAL . 20.9 t-80 -169.37 22.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.643 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.518 ' NH1' ' O ' ' A' ' 164' ' ' THR . 0.4 OUTLIER -133.66 170.53 15.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.463 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 176.81 -171.02 43.94 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -144.28 138.35 27.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.694 0.283 . . . . 0.0 110.674 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -119.45 134.47 55.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.346 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -103.32 157.98 16.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.577 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.557 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.549 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.82 0.343 . . . . 0.0 110.548 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.69 -39.9 95.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.596 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -45.17 -61.5 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.525 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.521 HD11 ' OE1' ' A' ' 109' ' ' GLU . 6.6 mp -52.12 -52.56 50.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.623 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.17 -58.03 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.441 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.508 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 40.7 t80 -57.6 -49.39 76.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.469 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.486 HD11 HG22 ' A' ' 110' ' ' VAL . 1.4 mt -57.08 -19.96 22.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.565 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -71.86 -44.39 63.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.241 -179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 pp -95.92 5.34 51.46 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.074 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.436 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.4 t -56.59 -48.09 97.79 Favored Pre-proline 0 CA--C 1.536 0.41 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.084 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 44.1 Cg_endo -74.13 -17.05 22.24 Favored 'Trans proline' 0 N--CA 1.488 1.198 0 C-N-CA 121.528 1.485 . . . . 0.0 111.856 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.9 t -69.14 -9.93 55.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.357 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.5 mt -79.63 12.1 2.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.54 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 41.63 43.34 2.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.563 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.6 mt -43.15 155.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.664 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.479 ' C ' ' H ' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -116.89 85.08 16.89 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.462 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -49.79 -7.16 0.08 OUTLIER 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 122.375 2.05 . . . . 0.0 112.264 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.479 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -47.44 -56.38 7.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.47 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.496 ' N ' ' NE2' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -112.99 -179.3 3.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.387 179.823 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.798 ' H ' HD12 ' A' ' 89' ' ' ILE . 0.2 OUTLIER -85.39 162.44 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.534 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -143.76 176.38 9.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.562 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -146.58 108.5 4.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.736 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.538 HG23 HG21 ' A' ' 120' ' ' VAL . 42.1 t -94.92 112.13 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.285 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.1 m -97.05 120.34 37.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.63 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -101.39 132.19 47.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.933 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.495 ' CD2' ' SG ' ' A' ' 161' ' ' CYS . 12.5 m-85 -124.04 102.86 7.97 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.43 145.75 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.076 -178.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.668 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 0.9 OUTLIER -97.0 -23.22 16.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.764 178.801 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.78 ' CD2' HG22 ' A' ' 31' ' ' THR . 21.6 m95 -114.77 135.78 53.8 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.528 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.403 ' OG ' HG23 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -57.66 162.73 4.54 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.599 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -70.7 171.12 16.12 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.602 2.201 . . . . 0.0 112.109 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 31.1 p -111.14 -137.2 0.37 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.367 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.539 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -49.49 102.49 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.495 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.525 ' O ' ' N ' ' A' ' 108' ' ' GLY . 79.3 p -41.08 -25.11 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.63 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.454 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -85.46 -28.29 25.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.919 0.39 . . . . 0.0 111.347 -179.503 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -81.33 -62.0 2.02 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . 0.73 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.7 OUTLIER -77.56 -69.24 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.621 0.248 . . . . 0.0 111.369 -179.568 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.722 ' HB1' HD13 ' A' ' 143' ' ' LEU . . . -58.43 -40.2 81.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.98 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -58.78 -57.05 21.93 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.521 ' OE1' HD11 ' A' ' 73' ' ' LEU . 41.1 mt-10 -53.96 -32.8 55.04 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.013 0.435 . . . . 0.0 110.099 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 106' ' ' CYS . 58.2 t -73.78 -40.24 53.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.348 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 55.9 ttt180 -56.1 -58.98 5.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.324 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.56 -59.75 4.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.426 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -46.67 -28.66 1.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.618 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.7 tp -84.24 -43.3 15.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.728 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -49.62 -28.69 6.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.489 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -109.68 5.33 22.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.998 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.631 ' O ' HG12 ' A' ' 120' ' ' VAL . 7.6 t30 -144.02 34.24 1.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.348 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.4 t -62.27 3.01 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.502 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.2 OUTLIER -76.16 9.98 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.376 . . . . 0.0 110.363 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 117' ' ' ASN . 7.9 p -136.98 149.66 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.387 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.45 123.05 34.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.467 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.506 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -104.66 112.41 25.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.614 -179.688 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.506 ' N ' HD13 ' A' ' 122' ' ' LEU . 1.8 mpt_? -116.32 120.05 37.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.857 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 19.6 mt -105.1 130.81 55.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.101 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -125.66 115.54 20.28 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.642 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -95.02 111.79 23.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.226 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.668 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -83.1 -44.71 14.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -133.2 138.41 46.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.933 0.397 . . . . 0.0 110.603 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.403 HG23 ' OG ' ' A' ' 99' ' ' SER . 0.2 OUTLIER -98.79 126.04 52.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.737 -179.73 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -174.42 120.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.308 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -175.35 172.74 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.503 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -103.31 9.9 37.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.378 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.475 ' C ' ' H ' ' A' ' 135' ' ' LEU . 1.7 m-20 -128.4 76.71 78.03 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.516 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.482 ' C ' ' H ' ' A' ' 136' ' ' TYR . 50.7 Cg_exo -49.75 -6.84 0.08 OUTLIER 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.72 2.28 . . . . 0.0 112.295 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.475 ' H ' ' C ' ' A' ' 133' ' ' ASP . 4.9 mt -55.73 -6.05 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.501 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.482 ' H ' ' C ' ' A' ' 134' ' ' PRO . 0.6 OUTLIER -42.4 -37.14 1.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.651 -179.89 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.479 ' N ' ' CG ' ' A' ' 136' ' ' TYR . 1.2 pttm -59.87 -60.36 3.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.464 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -51.88 -26.68 10.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.41 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.46 ' HB2' ' HB3' ' A' ' 103' ' ' SER . . . -75.39 -28.87 59.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.512 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.581 ' O ' HD23 ' A' ' 140' ' ' LEU . 0.9 OUTLIER -70.6 -41.44 72.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.514 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -82.28 -36.14 27.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.554 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 3.4 ttp -68.47 -49.66 58.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.689 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.722 HD13 ' HB1' ' A' ' 107' ' ' ALA . 23.1 tp -66.1 -50.93 62.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.677 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.482 ' C ' ' H ' ' A' ' 146' ' ' ALA . 4.8 tmm_? -49.08 -41.04 34.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.512 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -61.7 -0.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.594 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' A' ' 144' ' ' ARG . . . -102.16 -23.85 14.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.658 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 131.33 -47.61 1.01 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -44.31 147.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.839 0.352 . . . . 0.0 110.645 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -102.0 143.4 31.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.501 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.49 122.06 49.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.494 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 5.3 t -150.91 162.09 41.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.666 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.3 tp -78.38 140.28 17.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.583 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.583 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 10.9 ttt -56.37 130.7 45.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.637 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -100.08 153.77 18.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.629 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -52.29 -39.59 60.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.58 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.47 -44.38 93.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.543 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -65.95 -38.86 89.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.484 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.583 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 1.3 m-85 -51.43 -49.61 61.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.535 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.85 -52.98 62.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.606 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . 0.624 ' ND1' ' N ' ' A' ' 161' ' ' CYS . 0.1 OUTLIER -48.1 -51.53 24.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.336 179.836 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.624 ' N ' ' ND1' ' A' ' 160' ' ' HIS . 0.5 OUTLIER -64.11 -49.22 73.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.945 -179.495 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' TRP . . . . . 0.459 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 21.9 t-105 -43.35 -68.97 0.15 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.327 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . 0.459 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.1 OUTLIER -60.16 -26.51 66.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.762 -179.008 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.518 ' O ' ' NH1' ' A' ' 52' ' ' ARG . 30.7 m -86.87 -18.45 30.87 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.818 -179.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.547 ' N ' ' O ' ' A' ' 161' ' ' CYS . 25.9 m-85 -121.52 19.19 11.26 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.623 -179.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.527 ' C ' ' H ' ' A' ' 168' ' ' HIS . 60.9 t -144.69 153.97 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.517 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . 0.629 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -75.98 27.75 0.11 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.958 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.714 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -41.01 -54.56 2.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.909 179.539 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . 0.621 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 31.6 mt-30 41.16 17.06 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.386 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . 0.714 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 141.35 3.69 1.16 Allowed Glycine 0 CA--C 1.53 0.975 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.909 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . 0.615 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 23.7 m -117.24 85.27 18.89 Favored Pre-proline 0 CA--C 1.53 0.177 0 CA-C-N 116.865 0.333 . . . . 0.0 110.121 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -82.5 149.53 14.71 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 122.391 2.061 . . . . 0.0 112.369 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.513 ' CD2' ' O ' ' A' ' 173' ' ' PHE . 0.0 OUTLIER -105.76 123.03 47.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.313 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . 0.544 ' CD ' ' H ' ' A' ' 174' ' ' GLN . 0.0 OUTLIER -91.83 153.97 43.69 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.443 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -70.32 134.26 26.38 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.263 1.976 . . . . 0.0 111.96 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 9.7 p90 -80.55 -172.19 3.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.605 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.82 95.4 10.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.53 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 160.48 -33.6 0.41 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.76 -46.12 50.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.801 0.334 . . . . 0.0 110.377 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.3 -48.51 71.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.502 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -65.72 -57.82 7.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.476 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -49.95 -37.57 32.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.476 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.11 -55.43 35.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.491 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -58.02 -30.26 65.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.578 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -68.37 -65.04 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.555 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 42.9 mt -62.51 -60.34 3.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.492 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 15.6 p -45.98 -37.43 6.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.482 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -66.73 -39.83 93.72 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 189' ' ' ARG . . . . . 0.46 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 31.8 mtt85 -69.19 -55.87 9.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.782 0.325 . . . . 0.0 110.491 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -43.34 -50.34 6.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.3 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -59.3 -40.6 86.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.352 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 192' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -51.79 -52.69 47.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.51 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . 0.522 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -59.66 -33.9 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.349 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.455 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.488 ' CG ' ' O ' ' A' ' 11' ' ' HIS . 4.2 p80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.846 0.355 . . . . 0.0 110.607 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.701 HD12 ' N ' ' A' ' 12' ' ' LEU . 6.8 mp -94.9 174.37 7.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.968 0.413 . . . . 0.0 110.492 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.489 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -61.86 150.26 37.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.967 179.678 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -67.11 141.39 96.36 Favored Pre-proline 0 CA--C 1.536 0.418 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.408 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.442 ' O ' ' OG1' ' A' ' 19' ' ' THR . 86.1 Cg_exo -40.01 -48.71 3.78 Favored 'Trans proline' 0 N--CA 1.488 1.166 0 C-N-CA 122.119 1.879 . . . . 0.0 112.248 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.431 ' CD2' ' C ' ' A' ' 16' ' ' HIS . 11.7 t60 -65.83 -45.89 80.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.622 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.7 mm -48.7 -38.7 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.977 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 28.2 t80 -76.33 -57.2 4.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.786 0.327 . . . . 0.0 110.913 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -54.91 -24.56 24.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.831 -179.639 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.6 t -86.9 -35.91 18.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.676 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.614 ' ND2' ' CE1' ' A' ' 32' ' ' TYR . 14.4 t-20 -81.19 -1.36 44.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.735 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -133.31 3.17 3.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.339 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.403 ' ND2' ' C ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -65.52 122.52 17.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.441 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -39.39 121.12 1.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.727 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.52 77.66 1.27 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -70.11 -176.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.744 0.307 . . . . 0.0 110.584 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -121.92 -77.71 0.44 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.668 HH12 ' CE1' ' A' ' 29' ' ' HIS . 0.9 OUTLIER -171.56 147.01 2.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.465 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.668 ' CE1' HH12 ' A' ' 28' ' ' ARG . 18.1 m-70 44.31 64.39 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -135.43 13.64 3.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.816 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.9 p -47.27 109.5 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.426 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.614 ' CE1' ' ND2' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -106.14 140.79 38.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.652 -179.857 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.714 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.6 tm? -132.94 123.34 25.76 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.016 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.98 102.97 8.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.649 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.493 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 15.4 p90 -93.55 142.36 27.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.151 -179.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -126.49 160.59 30.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.111 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.681 HG21 ' CE1' ' A' ' 51' ' ' HIS . 44.8 t -131.44 123.78 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 110.639 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -135.68 120.54 18.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.619 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.8 ttp85 -95.53 137.53 34.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.39 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.9 mt -92.61 157.32 16.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.557 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -151.62 96.3 2.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.449 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.429 ' C ' ' H ' ' A' ' 44' ' ' THR . 40.7 t-20 59.43 53.87 4.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.472 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.62 -27.1 1.9 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.429 ' H ' ' C ' ' A' ' 42' ' ' ASN . 1.5 m -71.85 144.05 49.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.763 0.316 . . . . 0.0 110.508 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.7 p -104.26 137.0 42.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.569 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 37.1 t -131.1 105.42 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.499 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -82.54 136.78 34.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.663 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.2 mmt -89.31 145.81 25.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.523 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -96.82 -50.15 4.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.687 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.415 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -100.78 63.07 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.549 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.681 ' CE1' HG21 ' A' ' 37' ' ' VAL . 45.0 t-80 -161.0 13.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.663 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -109.58 170.63 7.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.596 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -173.09 173.69 45.71 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -152.15 146.72 25.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.85 0.357 . . . . 0.0 110.746 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mp -137.4 178.47 7.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.559 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.22 175.66 9.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.474 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.541 ' H ' ' ND2' ' A' ' 57' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.541 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.621 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.822 0.344 . . . . 0.0 110.658 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.59 -36.86 85.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.503 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -63.89 -50.9 66.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.508 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.555 HD13 ' ND1' ' A' ' 70' ' ' HIS . 6.6 mp -44.92 -47.54 11.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.383 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -58.26 -47.17 84.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.498 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.493 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 25.5 t80 -59.03 -47.77 84.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.407 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 tp -65.22 -19.59 66.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.191 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -79.07 -33.36 44.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.266 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 pp -103.81 8.11 37.08 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.779 0.323 . . . . 0.0 110.734 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.581 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -63.17 -41.66 70.89 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.61 179.792 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 28.3 Cg_exo -59.16 -22.07 62.64 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.263 1.975 . . . . 0.0 111.873 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.5 m -56.89 -8.84 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.526 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.664 HD22 ' NE2' ' A' ' 51' ' ' HIS . 49.2 mt -90.8 -35.25 14.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.59 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 71.26 39.58 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.643 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.9 mt -54.97 111.6 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.532 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.2 160.57 54.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.623 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.28 3.88 2.76 Favored 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.576 2.184 . . . . 0.0 112.112 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.0 -84.99 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.828 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.689 ' H ' ' NE2' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -109.11 -175.09 2.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.584 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 90' ' ' TYR . 3.2 mm -85.07 156.14 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.536 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.46 ' N ' HG22 ' A' ' 89' ' ' ILE . 2.4 m-85 -131.33 167.36 19.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.489 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.418 ' NH1' ' NH1' ' A' ' 123' ' ' ARG . 19.7 ttp180 -153.85 104.44 2.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.777 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.8 t -91.09 131.27 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.451 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.6 m -107.73 120.47 42.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.301 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -100.38 131.47 46.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.967 0.413 . . . . 0.0 110.741 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.445 ' CD2' ' SG ' ' A' ' 161' ' ' CYS . 22.4 m-85 -120.29 102.87 8.78 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -111.1 142.44 23.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.003 0.43 . . . . 0.0 111.664 -178.315 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.647 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 2.5 p -96.72 -27.9 14.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.057 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 14.8 m95 -112.16 136.44 51.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.578 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.49 162.41 0.26 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.626 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -69.74 172.95 11.7 Favored 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.544 2.163 . . . . 0.0 112.073 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -117.43 -151.26 0.48 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.288 -179.84 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.536 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -37.75 98.55 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.326 0.584 . . . . 0.0 110.066 179.685 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.882 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 74.4 m -39.06 -24.02 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.822 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.522 ' N ' ' O ' ' A' ' 102' ' ' PHE . 1.6 t90 -84.41 -31.75 24.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.55 -179.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -72.22 -62.31 3.35 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -69.21 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.648 0.261 . . . . 0.0 111.198 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.882 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -50.55 -50.16 54.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.913 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.35 -58.84 11.96 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 105' ' ' GLY . 14.3 mm-40 -46.59 -45.35 18.86 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.279 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.0 t -65.18 -45.11 94.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.391 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -47.04 -58.54 3.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.209 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.54 -45.6 63.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.242 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -51.56 -49.19 62.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.491 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.54 ' O ' HG23 ' A' ' 118' ' ' THR . 7.0 mp -69.21 -58.42 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.505 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -46.8 -15.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.416 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 114' ' ' LEU . 4.3 tt0 -109.97 -18.91 13.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.657 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.627 ' ND2' ' CD2' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -152.54 57.74 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.387 . . . . 0.0 110.694 -179.842 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 114' ' ' LEU . 66.5 p -62.14 5.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.627 ' CD2' ' ND2' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -75.85 1.36 15.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 0.0 110.337 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 117' ' ' ASN . 6.6 p -128.47 130.52 69.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.482 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 28.1 mtt-85 -91.47 144.55 25.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.294 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.76 128.55 49.73 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.002 -179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.418 ' NH1' ' NH1' ' A' ' 91' ' ' ARG . 2.4 mtp180 -112.27 124.08 51.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.825 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 23.6 mm -104.92 127.12 59.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.748 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.509 ' CE1' ' OE2' ' A' ' 157' ' ' GLU . 63.4 m-85 -126.09 111.18 14.37 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.04 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -94.54 114.77 26.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.988 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.647 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -85.75 -44.66 12.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.071 -179.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.651 ' HE ' HD21 ' A' ' 186' ' ' LEU . 0.0 OUTLIER -133.82 140.31 46.81 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.878 0.37 . . . . 0.0 110.784 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.422 ' H ' ' CZ ' ' A' ' 128' ' ' ARG . 0.2 OUTLIER -99.85 129.24 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.581 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.417 ' O ' ' OD1' ' A' ' 131' ' ' ASP . 0.2 OUTLIER -178.82 122.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.367 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 130' ' ' TYR . 0.1 OUTLIER 179.68 151.71 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.681 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -86.59 10.09 16.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.453 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.488 ' C ' ' H ' ' A' ' 135' ' ' LEU . 11.9 m-20 -122.33 80.61 45.39 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.571 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.478 ' C ' ' H ' ' A' ' 136' ' ' TYR . 50.2 Cg_exo -50.04 -5.83 0.07 OUTLIER 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 122.565 2.177 . . . . 0.0 112.309 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.488 ' H ' ' C ' ' A' ' 133' ' ' ASP . 5.5 mt -52.66 -8.98 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.456 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.478 ' H ' ' C ' ' A' ' 134' ' ' PRO . 0.9 OUTLIER -42.87 -26.55 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.662 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -68.08 -59.21 3.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.585 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.99 -30.38 14.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.554 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.61 ' HB2' ' OG ' ' A' ' 103' ' ' SER . . . -69.13 -42.58 75.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.591 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.32 -43.71 83.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.54 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -77.24 -59.23 2.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.552 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -45.08 -39.89 6.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.437 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 44.2 tp -68.96 -45.96 69.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -54.45 -28.49 44.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.519 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -82.22 -13.6 56.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.516 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -87.73 -23.1 24.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.585 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 91.71 68.47 1.15 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -143.49 172.79 12.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.879 0.371 . . . . 0.0 110.573 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -100.53 130.67 46.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.584 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.05 107.68 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.501 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.09 162.0 41.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.719 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.643 HD11 HD22 ' A' ' 190' ' ' LEU . 10.3 mm -85.02 136.45 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.568 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.586 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 4.9 ttt -45.04 121.26 2.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.51 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 82.4 p -99.04 157.38 16.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.636 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -47.97 -39.41 19.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.731 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.39 -60.94 2.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.588 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . 0.509 ' OE2' ' CE1' ' A' ' 125' ' ' PHE . 73.8 mt-10 -53.79 -32.32 52.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.489 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.586 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 0.4 OUTLIER -59.41 -46.9 87.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.421 179.864 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -59.88 -56.22 24.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.661 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . 0.517 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -56.23 -54.21 48.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.54 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.517 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 11.5 t -57.12 -38.53 73.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.705 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' TRP . . . . . 0.578 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 4.0 t-105 -61.88 -64.7 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . 0.578 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -62.46 -17.5 59.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.337 -179.45 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 87.7 m -86.56 -36.49 18.88 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.23 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.489 ' O ' ' SD ' ' A' ' 13' ' ' MET . 28.6 m-85 -100.72 18.7 18.69 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.354 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.493 ' C ' ' H ' ' A' ' 168' ' ' HIS . 60.2 t -146.15 134.87 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.643 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 169' ' ' GLN . 30.2 t70 -75.16 39.31 0.14 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.605 178.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.596 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -46.87 -12.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.586 -179.776 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' A' ' 167' ' ' ASP . 9.2 mm-40 53.83 6.19 0.08 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.987 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . 0.596 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 122.47 36.1 0.71 Allowed Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . 0.585 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 1.2 m -124.78 80.76 62.14 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-O 120.701 0.286 . . . . 0.0 110.292 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -51.91 155.05 8.92 Favored 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.595 2.197 . . . . 0.0 112.219 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.521 ' CE1' ' O ' ' A' ' 174' ' ' GLN . 0.0 OUTLIER -98.59 114.5 26.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.412 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . 0.521 ' O ' ' CE1' ' A' ' 173' ' ' PHE . 0.0 OUTLIER -79.53 156.68 75.56 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.553 -179.732 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.66 156.21 57.77 Favored 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 122.393 2.062 . . . . 0.0 112.154 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 3.0 p90 -103.53 -168.29 1.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.383 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -89.22 86.63 6.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.436 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 144.67 -25.39 1.97 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 5.2 tt -41.07 -38.77 1.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.727 0.299 . . . . 0.0 110.604 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -47.89 59.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.611 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -60.16 -50.13 74.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.642 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -63.32 -46.86 84.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.56 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 71.0 m -58.55 -50.34 74.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.596 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.26 -32.04 72.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.705 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -73.88 -65.16 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.63 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . 0.651 HD21 ' HE ' ' A' ' 128' ' ' ARG . 9.3 mp -50.52 -54.68 20.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.505 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 13.3 m -54.41 -42.4 70.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.603 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -66.02 -32.77 83.52 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -58.89 -61.68 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.724 0.297 . . . . 0.0 110.596 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.643 HD22 HD11 ' A' ' 152' ' ' ILE . 2.1 tp -51.24 -44.76 61.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.424 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 25.3 ttt180 -52.42 -35.62 52.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.41 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -66.08 -55.14 18.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.576 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . 0.502 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -48.56 -53.47 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.531 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.528 -179.948 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.0 t60 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.837 0.351 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.838 HD22 ' N ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -100.74 174.04 6.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.248 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.6 ptp -76.26 166.86 22.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.241 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.13 142.12 92.54 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.676 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -41.66 -49.09 5.47 Favored 'Trans proline' 0 N--CA 1.491 1.336 0 C-N-CA 122.082 1.855 . . . . 0.0 112.346 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -64.76 -48.06 75.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.057 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.4 mm -48.73 -30.35 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.652 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -80.97 -60.86 2.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.615 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.6 -24.99 1.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.567 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.8 p -79.26 -54.65 5.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.504 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.59 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 6.2 m120 -60.84 -7.63 2.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.548 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -133.19 35.16 3.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 23' ' ' ASN . 1.7 t-20 -95.58 104.93 16.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.578 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.668 ' N ' HH21 ' A' ' 128' ' ' ARG . 0.0 OUTLIER -41.21 155.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.556 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.22 18.29 67.27 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.819 -0.913 . . . . 0.0 110.819 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.402 HD13 ' HE1' ' A' ' 98' ' ' TRP . 19.5 tt -60.79 158.39 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.619 0.247 . . . . 0.0 110.46 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.88 -10.36 0.1 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -108.1 143.69 36.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.779 0.323 . . . . 0.0 110.438 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.596 ' N ' ' ND1' ' A' ' 29' ' ' HIS . 0.1 OUTLIER -61.91 76.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.819 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.575 ' NZ ' HD21 ' A' ' 21' ' ' ASN . 0.0 OUTLIER -117.03 25.11 10.73 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.961 179.727 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.477 HG22 ' CD2' ' A' ' 98' ' ' TRP . 0.1 OUTLIER -46.92 142.04 3.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.395 -179.465 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.59 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -119.74 143.69 47.66 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.093 179.71 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.654 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.2 tm? -133.37 114.0 13.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.107 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.89 136.83 47.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.673 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.404 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 40.4 p90 -128.91 136.65 50.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.024 0.44 . . . . 0.0 111.395 -178.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -139.96 129.06 23.66 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.15 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.8 t -105.36 137.85 33.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.875 0.369 . . . . 0.0 110.73 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.484 ' OE2' ' NE ' ' A' ' 91' ' ' ARG . 7.6 pt-20 -139.67 134.52 32.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.405 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.3 ttp85 -79.47 138.18 37.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.547 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.6 mt -103.49 101.49 11.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.667 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -100.5 99.33 9.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.455 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.416 HD22 ' C ' ' A' ' 42' ' ' ASN . 0.4 OUTLIER 54.83 32.28 17.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.615 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.51 -25.96 26.23 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.8 m -72.78 110.89 7.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.54 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 63.2 p -84.25 128.4 34.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.512 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.7 t -122.92 99.36 6.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.454 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -63.82 132.46 50.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.62 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 45.3 mtt -74.75 155.88 37.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.533 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.92 -50.2 7.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.597 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -103.29 73.09 1.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.517 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.52 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 38.0 t-80 -163.93 9.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.666 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.543 ' HE ' ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -100.92 133.64 45.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.397 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -154.53 -179.34 29.71 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -166.04 139.21 4.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.922 0.392 . . . . 0.0 111.154 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mp -138.33 178.47 7.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.382 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.08 167.87 13.64 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.347 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 . . . . . 0 C--N 1.33 -0.24 0 CA-C-O 120.849 0.357 . . . . 0.0 110.656 -179.867 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.426 ' CD2' ' OE2' ' A' ' 72' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.932 0.396 . . . . 0.0 110.717 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.46 -27.44 56.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.536 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.494 ' OE1' ' SG ' ' A' ' 106' ' ' CYS . 21.5 mt-10 -54.34 -38.32 65.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.569 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.6 mp -60.72 -47.1 87.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.633 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -60.49 -37.57 81.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.595 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 2.8 t80 -62.07 -49.22 76.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.569 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.1 tp -65.94 -20.15 66.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.627 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -76.73 -29.48 56.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.659 ' C ' HD12 ' A' ' 78' ' ' LEU . 4.0 pp -104.44 7.13 35.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.834 0.35 . . . . 0.0 110.833 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.588 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -64.25 -41.11 58.38 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.985 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 22.7 Cg_exo -61.0 -17.24 50.55 Favored 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 122.27 1.98 . . . . 0.0 112.065 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.7 m -71.04 -9.02 57.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.2 mt -98.3 -10.77 23.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.705 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 42.76 52.37 5.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.546 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 mt -40.43 156.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.71 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.492 ' C ' ' H ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -116.22 85.41 15.55 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.413 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -50.12 -5.66 0.07 OUTLIER 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.357 2.038 . . . . 0.0 112.45 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -40.95 -31.99 0.21 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.91 0.386 . . . . 0.0 110.518 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -138.29 -173.88 3.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.279 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.474 ' C ' ' CD1' ' A' ' 90' ' ' TYR . 0.5 OUTLIER -90.75 156.61 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.028 0.442 . . . . 0.0 110.641 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 89' ' ' ILE . 65.1 m-85 -144.15 179.05 7.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.845 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.535 ' CZ ' ' HE ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -148.63 116.04 6.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.443 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.3 t -93.85 122.52 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.322 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.5 m -104.11 118.73 37.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.605 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -102.97 131.13 50.15 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.648 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.416 ' CD2' ' SG ' ' A' ' 161' ' ' CYS . 36.3 m-85 -123.22 103.21 8.39 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -111.93 145.6 17.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.475 -178.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.633 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 2.1 p -91.88 -24.51 19.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.001 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.477 ' CD2' HG22 ' A' ' 31' ' ' THR . 13.9 m95 -110.54 171.12 7.65 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.102 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -98.08 161.08 26.7 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.799 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' A' ' 99' ' ' SER . 53.1 Cg_exo -42.55 173.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 122.648 2.232 . . . . 0.0 112.515 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.9 p -125.08 -47.81 1.76 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.143 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.3 OUTLIER -143.31 117.31 9.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.578 179.597 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.866 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 3.8 m -42.85 -36.64 1.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.05 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -84.65 -17.69 37.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.555 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.96 -63.82 1.51 Allowed Glycine 0 CA--C 1.527 0.804 0 C-N-CA 120.514 -0.85 . . . . 0.0 111.697 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . 0.494 ' SG ' ' OE1' ' A' ' 72' ' ' GLU . 1.3 m -79.01 -48.07 15.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.652 0.263 . . . . 0.0 111.572 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.866 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -74.09 -27.74 61.04 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.853 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -69.27 -61.0 4.77 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -36.78 68.79 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.117 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 4.3 t -68.88 -61.41 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.363 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.602 ' C ' HE21 ' A' ' 115' ' ' GLN . 67.3 ttt180 -42.3 -60.74 1.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.128 0.49 . . . . 0.0 110.098 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -42.81 -59.54 1.92 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.428 ' CE1' ' OD1' ' A' ' 117' ' ' ASN . 40.8 t80 -51.55 -23.43 4.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.603 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.455 HD11 ' HB2' ' A' ' 122' ' ' LEU . 0.9 OUTLIER -84.48 -55.71 4.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.078 -179.613 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.602 HE21 ' C ' ' A' ' 111' ' ' ARG . 11.7 mm-40 -46.52 -28.91 1.55 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.945 0.402 . . . . 0.0 110.081 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -90.92 -42.04 10.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.237 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 119' ' ' HIS . 17.8 m120 -103.77 37.5 2.03 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.747 0.308 . . . . 0.0 111.185 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.429 ' C ' ' H ' ' A' ' 120' ' ' VAL . 59.9 p -45.66 -15.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.835 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.52 ' O ' ' ND1' ' A' ' 119' ' ' HIS . 5.6 p80 -76.19 16.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.955 0.407 . . . . 0.0 110.544 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.447 ' CG2' ' CE1' ' A' ' 119' ' ' HIS . 60.7 t -137.27 144.88 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.479 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.28 148.66 22.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.177 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.523 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.3 OUTLIER -130.91 113.39 13.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.048 0.451 . . . . 0.0 110.796 -179.264 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.535 ' HE ' ' CZ ' ' A' ' 91' ' ' ARG . 32.2 mtt-85 -115.23 125.01 52.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.125 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.1 mm -106.0 129.61 58.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -128.18 115.41 18.33 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.659 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -102.85 111.39 23.7 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.429 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.633 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -77.73 -43.08 32.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.816 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.668 HH21 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -131.63 160.7 34.62 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.515 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.526 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 0.9 OUTLIER -121.76 141.12 43.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.62 -179.751 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.526 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 0.8 OUTLIER 177.77 120.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.431 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.48 ' C ' ' H ' ' A' ' 133' ' ' ASP . 2.4 m-20 -177.81 123.58 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.432 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.71 9.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.328 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 135' ' ' LEU . 1.1 m-20 -118.51 82.37 19.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.29 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -46.83 -7.99 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 122.461 2.107 . . . . 0.0 112.633 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 133' ' ' ASP . 0.7 OUTLIER -51.64 -21.06 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.699 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.671 ' OH ' HD11 ' A' ' 193' ' ' ILE . 0.5 OUTLIER -42.52 -31.92 0.49 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.643 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -53.51 -62.05 1.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.439 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -54.84 -33.33 61.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.433 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 136' ' ' TYR . . . -56.38 -46.84 79.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.437 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -60.56 -50.74 72.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.281 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.442 ' NE2' HG22 ' A' ' 193' ' ' ILE . 63.6 mm-40 -58.76 -39.4 80.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.408 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -56.97 -39.77 75.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.249 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.721 HD12 ' HB3' ' A' ' 148' ' ' ALA . 0.8 OUTLIER -60.21 -55.54 32.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.211 179.734 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -44.93 -41.71 7.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.566 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.62 -34.36 72.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.666 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.33 -23.37 43.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 79.98 71.04 1.29 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.721 ' HB3' HD12 ' A' ' 143' ' ' LEU . . . -136.28 -172.54 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.679 0.276 . . . . 0.0 110.501 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.66 124.43 48.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.607 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.19 107.72 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.495 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 71.0 p -152.0 162.35 41.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.693 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 187' ' ' SER . 19.5 mt -85.92 139.25 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.893 0.378 . . . . 0.0 110.352 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 5.8 tpp -41.42 126.96 2.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.626 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.99 159.31 15.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.506 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -48.09 -41.39 26.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.688 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -62.5 -48.07 81.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.582 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -61.99 -42.5 99.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.596 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -49.81 -56.27 11.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.675 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.15 -58.75 6.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.017 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . 0.614 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -48.74 -57.82 5.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.855 -179.774 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.614 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 1.5 m -54.76 -52.76 61.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' TRP . . . . . 0.595 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 6.4 t-105 -43.83 -68.76 0.17 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . 0.595 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -57.97 -41.24 82.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.437 -179.316 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.401 ' O ' HG22 ' A' ' 164' ' ' THR . 77.9 m -68.23 -18.1 64.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.493 -179.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 161' ' ' CYS . 50.0 m-85 -121.56 19.31 11.22 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.557 ' C ' ' H ' ' A' ' 168' ' ' HIS . 80.6 t -144.76 155.07 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.182 0.515 . . . . 0.0 111.645 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . 0.497 ' N ' HG12 ' A' ' 166' ' ' VAL . 2.2 p-10 -74.87 30.14 0.09 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.642 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.738 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.2 OUTLIER -35.26 -53.6 0.63 Allowed 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.252 -179.644 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . 0.626 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 81.0 mm-40 40.95 15.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.518 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . 0.738 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 144.39 -3.17 1.38 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . 0.593 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 3.5 m -108.07 96.08 16.99 Favored Pre-proline 0 CA--C 1.535 0.393 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -73.61 160.64 43.72 Favored 'Trans proline' 0 N--CA 1.49 1.276 0 C-N-CA 121.522 1.481 . . . . 0.0 112.691 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -51.48 143.96 11.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.805 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -108.44 99.88 35.1 Favored Pre-proline 0 CA--C 1.535 0.384 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.634 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -78.71 133.86 11.77 Favored 'Trans proline' 0 N--CA 1.489 1.241 0 C-N-CA 121.859 1.706 . . . . 0.0 111.95 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' TRP . . . . . 0.695 ' HE1' ' CD2' ' A' ' 182' ' ' HIS . 0.9 OUTLIER -73.82 167.16 21.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . 0.502 ' N ' ' OD1' ' A' ' 177' ' ' ASP . 9.6 p30 -84.02 86.13 7.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.739 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 149.97 43.72 0.03 OUTLIER Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.491 -1.044 . . . . 0.0 110.491 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . 0.413 HD12 ' CD1' ' A' ' 176' ' ' TRP . 0.8 OUTLIER -73.92 -49.92 22.5 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.872 -179.678 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -59.48 -21.8 60.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.426 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -75.91 -62.0 1.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 182' ' ' HIS . . . . . 0.695 ' CD2' ' HE1' ' A' ' 176' ' ' TRP . 2.1 p80 -70.61 -28.13 64.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.996 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 49.9 m -69.51 -45.43 68.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.499 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -63.56 -38.48 91.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.542 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -56.58 -60.26 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.6 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 35.9 mt -67.76 -55.89 11.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.613 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . 0.403 ' HA ' HD12 ' A' ' 152' ' ' ILE . 23.0 t -50.54 -26.31 5.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.6 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -72.73 -53.69 8.07 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 189' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 7.3 tpp180 -48.24 -56.09 8.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.807 0.337 . . . . 0.0 110.621 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.5 tp -53.55 -54.1 42.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.611 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -45.27 -36.95 4.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.605 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 192' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -64.85 -50.45 66.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.566 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . 0.671 HD11 ' OH ' ' A' ' 136' ' ' TYR . 10.5 mt -49.43 -49.0 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.455 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 47.8 mt . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.61 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.736 0.303 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.844 HD22 ' N ' ' A' ' 12' ' ' LEU . 1.0 OUTLIER -107.68 173.58 6.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.134 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.9 mtm -74.58 150.75 39.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.87 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 3.9 m-20 -63.63 141.99 97.95 Favored Pre-proline 0 CA--C 1.537 0.461 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.446 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.421 ' O ' ' OG1' ' A' ' 19' ' ' THR . 73.5 Cg_exo -40.73 -52.55 3.16 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 122.147 1.898 . . . . 0.0 112.393 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -64.02 -48.19 77.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.031 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mm -48.78 -39.9 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 0.0 110.447 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -76.07 -60.87 2.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.56 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.2 OUTLIER -48.74 -24.52 1.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.56 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.7 p -77.58 -49.1 15.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.53 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.427 ' ND2' ' CE1' ' A' ' 32' ' ' TYR . 2.3 m-20 -62.44 -30.44 71.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.558 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.435 ' C ' ' N ' ' A' ' 24' ' ' ASN . 99.1 m-85 -112.25 20.48 16.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.502 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -51.55 -12.68 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.497 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.435 ' N ' ' C ' ' A' ' 22' ' ' PHE . 9.7 t-20 63.89 98.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.475 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.25 77.04 1.14 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.446 ' C ' HD12 ' A' ' 26' ' ' ILE . 1.2 pp -140.82 -178.19 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 0.0 110.575 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.03 41.88 0.59 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.469 ' O ' ' CZ2' ' A' ' 98' ' ' TRP . 1.0 OUTLIER -105.21 149.01 26.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.558 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -92.15 85.36 5.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.391 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -171.1 49.26 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.455 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.723 HG22 ' CD2' ' A' ' 98' ' ' TRP . 3.5 p -46.35 157.66 0.13 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.288 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.427 ' CE1' ' ND2' ' A' ' 21' ' ' ASN . 3.7 m-85 -121.31 143.69 49.04 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.192 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 34' ' ' CYS . 8.4 tp -137.11 111.88 8.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.533 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.42 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -106.2 127.27 53.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.948 179.285 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 14.0 p90 -121.22 138.21 54.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.943 0.402 . . . . 0.0 111.035 -179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.01 134.06 29.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.105 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -95.67 145.12 8.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.925 0.393 . . . . 0.0 110.835 -179.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -139.95 128.9 23.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.414 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -81.32 135.91 35.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.521 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.6 mt -100.86 146.19 27.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.494 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -155.6 100.5 2.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.593 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.76 31.65 21.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.537 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.05 -24.9 29.83 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.3 m -72.61 108.01 5.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 0.0 110.61 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 60.5 p -98.81 108.79 21.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.577 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.536 ' O ' HG23 ' A' ' 46' ' ' VAL . 33.5 m -101.33 120.14 50.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.653 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -77.73 124.73 28.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.536 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 46.0 mtt -61.68 153.56 27.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.622 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.74 -50.23 6.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.492 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -104.94 74.94 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.318 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.493 ' N ' ' HE ' ' A' ' 52' ' ' ARG . 37.7 t-80 -164.59 22.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.682 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.697 ' H ' ' NE ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -101.04 152.36 20.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.512 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.44 151.4 21.29 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -149.42 142.03 24.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.804 0.335 . . . . 0.0 110.635 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.889 HD12 ' H ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -144.72 167.17 23.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.498 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.425 ' O ' ' O ' ' A' ' 57' ' ' ASN . 0.6 OUTLIER -104.08 159.02 16.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.511 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.425 ' O ' ' O ' ' A' ' 56' ' ' HIS . 45.4 p-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.612 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.655 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.848 0.356 . . . . 0.0 110.125 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.49 -47.38 3.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.999 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.522 ' CD ' ' H ' ' A' ' 72' ' ' GLU . 19.0 mp0 -48.33 -43.7 33.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.944 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.475 HD13 ' ND1' ' A' ' 70' ' ' HIS . 10.8 mp -68.82 -55.08 12.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.606 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -44.38 -27.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.565 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.452 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 16.0 t80 -84.7 -44.15 13.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.578 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.0 tp -66.64 -19.99 65.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.635 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.72 -28.59 60.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.18 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.652 ' C ' HD12 ' A' ' 78' ' ' LEU . 3.9 pp -106.28 8.06 31.68 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.928 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.579 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -64.82 -41.03 52.99 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.952 179.849 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 36.0 Cg_exo -58.16 -17.35 31.72 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 C-N-CA 122.233 1.956 . . . . 0.0 111.963 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.3 t -55.4 -32.64 62.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.686 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.721 HD22 ' N ' ' A' ' 82' ' ' LEU . 2.8 mm? -80.69 -41.98 22.78 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.434 ' CB ' ' O ' ' A' ' 82' ' ' LEU . 13.3 tt0 76.6 41.13 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.677 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.4 mt -46.88 154.62 0.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.513 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.02 160.52 66.92 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.409 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -71.4 -15.22 31.23 Favored 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.511 2.141 . . . . 0.0 112.21 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.87 -78.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.493 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -98.59 155.1 17.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.365 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.0 mm -84.91 150.6 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.083 0.468 . . . . 0.0 110.444 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -137.23 179.03 6.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.66 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -148.91 107.06 3.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.476 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 70.7 t -88.99 107.96 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.371 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.3 m -93.12 124.33 37.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.524 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 25.9 m0 -100.6 131.26 46.6 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.022 0.439 . . . . 0.0 110.508 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -118.63 102.84 9.17 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.415 HG21 HD13 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -115.16 145.96 20.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.166 0.508 . . . . 0.0 111.711 -178.357 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.63 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 0.2 OUTLIER -95.72 -20.05 19.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.743 179.081 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.723 ' CD2' HG22 ' A' ' 31' ' ' THR . 22.8 m95 -117.05 163.98 15.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.219 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -79.64 158.14 73.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.479 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' A' ' 99' ' ' SER . 53.3 Cg_exo -42.38 171.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.369 0 C-N-CA 122.413 2.075 . . . . 0.0 112.235 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.59 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 0.1 OUTLIER -107.17 -45.05 4.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.327 179.686 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.59 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.3 OUTLIER -157.21 114.01 3.01 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 179.228 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 108' ' ' GLY . 96.4 p -39.09 -39.86 0.62 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.275 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -85.16 -21.85 29.04 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.37 -179.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.94 -63.89 1.51 Allowed Glycine 0 CA--C 1.525 0.7 0 C-N-CA 120.291 -0.957 . . . . 0.0 110.842 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 60.3 m -79.37 -69.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.748 0.309 . . . . 0.0 111.114 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.801 ' HB1' HD13 ' A' ' 143' ' ' LEU . . . -57.7 -25.78 60.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.618 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -67.38 -61.37 5.14 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.606 -0.997 . . . . 0.0 110.606 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -49.54 -29.6 7.15 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.875 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 3.7 t -71.82 -44.48 67.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.054 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 44.3 ttt85 -54.25 -58.75 6.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.209 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.65 -45.86 58.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.368 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 117' ' ' ASN . 5.6 t80 -53.13 -51.3 62.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.414 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 116' ' ' GLU . 8.9 mt -61.92 -58.57 7.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.448 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -49.68 -16.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.396 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 114' ' ' LEU . 36.8 tt0 -110.06 -22.5 11.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 113' ' ' PHE . 3.8 m120 -135.19 46.88 2.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.782 0.325 . . . . 0.0 111.021 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.423 ' C ' ' H ' ' A' ' 120' ' ' VAL . 1.0 OUTLIER -49.72 -11.8 0.06 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.719 -179.858 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.51 ' CE1' ' CG2' ' A' ' 120' ' ' VAL . 6.6 p80 -76.94 19.3 0.3 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.887 0.375 . . . . 0.0 110.534 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.51 ' CG2' ' CE1' ' A' ' 119' ' ' HIS . 41.5 t -143.04 136.98 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.506 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -91.64 129.32 37.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.556 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.508 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -111.14 112.7 24.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.505 -179.763 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.508 ' N ' HD13 ' A' ' 122' ' ' LEU . 37.5 mtp180 -110.92 128.48 55.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.361 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.1 mm -106.53 125.3 62.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -123.94 105.02 9.26 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.761 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -96.07 111.12 23.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.157 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.63 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -78.54 -40.38 35.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -135.37 152.64 51.63 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.55 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.401 ' H ' ' CD ' ' A' ' 128' ' ' ARG . 3.5 mt -124.3 97.51 4.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.677 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -150.99 37.1 0.62 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.52 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 132' ' ' TYR . 11.0 t70 -84.01 160.04 21.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.641 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . 0.529 ' N ' ' OD1' ' A' ' 131' ' ' ASP . 0.2 OUTLIER -81.81 10.14 6.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.67 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.5 ' C ' ' H ' ' A' ' 135' ' ' LEU . 5.9 m-20 -126.02 78.66 70.06 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.748 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.479 ' C ' ' H ' ' A' ' 136' ' ' TYR . 50.7 Cg_exo -51.42 -4.11 0.08 OUTLIER 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.713 2.276 . . . . 0.0 112.357 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.5 ' H ' ' C ' ' A' ' 133' ' ' ASP . 5.8 mt -57.17 -4.4 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.583 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.479 ' H ' ' C ' ' A' ' 134' ' ' PRO . 1.5 p90 -46.14 -23.84 0.37 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.682 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 41.9 tttp -76.8 -62.27 1.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.335 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -52.2 -19.58 2.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.286 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -77.67 -55.3 5.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.361 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.9 tt -54.67 -20.66 8.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.333 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -83.99 -61.04 1.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.158 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -64.42 -24.19 67.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.963 -179.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.801 HD13 ' HB1' ' A' ' 107' ' ' ALA . 16.1 tp -79.98 -53.22 6.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.464 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -47.72 -42.23 24.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.456 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -23.07 67.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.607 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 143' ' ' LEU . . . -77.36 -20.2 55.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.616 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 112.59 -34.36 5.18 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.522 ' HB3' ' HG ' ' A' ' 143' ' ' LEU . . . -41.83 151.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.757 0.313 . . . . 0.0 110.469 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -97.4 137.96 35.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.572 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.31 119.99 45.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.493 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.16 161.87 41.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.596 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -90.91 144.26 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.53 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.587 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 9.3 ttt -55.88 115.01 2.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.502 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 23.8 p -98.16 167.05 11.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.645 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -48.14 -58.15 4.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.565 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.84 -46.94 21.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.633 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.64 -38.12 89.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.778 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.587 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 1.1 m-85 -62.21 -46.62 88.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.775 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 14.3 ttpp -55.29 -52.24 64.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . 0.599 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -67.32 -54.51 20.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.779 -179.667 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.599 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 8.4 t -56.3 -23.78 38.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.018 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' TRP . . . . . 0.632 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 3.2 t-105 -72.45 -68.07 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.89 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . 0.632 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.5 OUTLIER -64.57 -14.18 56.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.331 -179.23 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 98.3 m -82.91 -26.19 31.73 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.811 -0.355 . . . . 0.0 111.091 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -121.6 18.8 11.22 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.515 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.525 ' C ' ' H ' ' A' ' 168' ' ' HIS . 65.6 t -134.36 154.57 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 121.102 0.477 . . . . 0.0 111.266 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . 0.456 ' N ' HG12 ' A' ' 166' ' ' VAL . 1.6 t70 -76.08 33.24 0.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.557 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.746 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -37.95 -52.69 1.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.097 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . 0.623 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 15.0 mm-40 39.93 17.9 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.454 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . 0.746 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 141.68 -0.67 1.7 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . 0.606 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 1.4 m -114.31 86.89 12.68 Favored Pre-proline 0 CA--C 1.531 0.214 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -78.08 162.33 28.96 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.06 1.84 . . . . 0.0 112.732 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -51.53 136.45 26.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.644 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -120.21 84.45 34.2 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.657 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -48.66 138.97 24.74 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 122.257 1.971 . . . . 0.0 112.194 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -100.74 178.34 4.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.633 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . 0.435 ' N ' ' OD1' ' A' ' 177' ' ' ASP . 1.2 m-20 -81.25 86.8 6.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.582 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 155.8 -19.41 0.5 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.5 -45.7 80.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.529 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -59.49 4.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.622 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -55.15 -61.78 2.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.592 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -42.48 -42.36 3.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.593 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 2.8 t -58.28 -49.36 77.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.621 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -53.71 -35.75 61.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -61.81 -59.54 5.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.547 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 7.7 mt -55.96 -57.94 9.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.532 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 1.1 m -52.56 -44.49 65.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.557 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -52.12 -37.47 46.25 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -66.25 -58.82 4.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.788 0.327 . . . . 0.0 110.569 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -46.95 -39.16 11.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.416 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -66.32 -48.82 69.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.522 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -47.66 -48.86 28.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.564 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . 0.536 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -69.56 -30.6 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.597 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 2.3 tp . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.535 -179.967 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.818 0.342 . . . . 0.0 110.421 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.822 HD22 ' N ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -98.36 174.31 6.55 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.397 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.527 ' HB2' HD11 ' A' ' 17' ' ' ILE . 1.1 ptp -76.97 167.49 21.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.079 179.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -74.7 123.92 89.34 Favored Pre-proline 0 CA--C 1.539 0.52 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.614 -179.617 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.424 ' O ' ' OG1' ' A' ' 19' ' ' THR . 72.2 Cg_exo -43.24 -17.1 0.09 OUTLIER 'Trans proline' 0 N--CA 1.491 1.348 0 C-N-CA 121.767 1.645 . . . . 0.0 111.546 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.568 ' CG ' ' N ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -75.41 -58.31 3.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.001 -179.707 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.568 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 26.3 pt -61.86 -19.69 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.888 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -74.0 -61.26 1.91 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.663 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -53.69 -23.92 12.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.162 179.618 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.459 ' C ' ' H ' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -85.21 -61.05 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.609 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -55.98 -6.28 0.23 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.711 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.459 ' H ' ' C ' ' A' ' 20' ' ' SER . 34.8 m-85 -127.99 12.6 6.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.734 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.39 109.56 12.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.584 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.414 ' OD1' ' NH2' ' A' ' 128' ' ' ARG . 0.5 OUTLIER -41.08 135.68 1.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.648 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.758 ' H ' HH12 ' A' ' 128' ' ' ARG . . . 88.37 98.61 0.96 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.4 pt -147.85 -171.67 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.736 0.303 . . . . 0.0 110.545 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.58 46.62 0.07 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.52 162.12 35.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.767 0.318 . . . . 0.0 110.576 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -99.87 100.97 11.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.77 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -172.51 36.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.217 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.702 HG22 ' CD2' ' A' ' 98' ' ' TRP . 1.3 p -47.49 162.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.946 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -125.28 149.03 48.43 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.379 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.6 tp -134.25 112.97 11.5 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.618 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.0 103.06 12.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.955 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.467 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 34.4 p90 -95.4 136.97 35.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 -179.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -121.83 157.54 30.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.961 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.763 HG11 ' CE1' ' A' ' 51' ' ' HIS . 6.2 t -135.19 128.87 49.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.353 . . . . 0.0 110.86 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.57 139.44 31.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.609 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.5 HH22 ' CD ' ' A' ' 88' ' ' GLN . 5.6 ptm85 -92.16 146.49 23.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.591 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 mp -103.89 132.35 50.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.634 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -145.17 101.98 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.589 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 56.72 38.69 29.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.52 -26.98 8.27 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.7 m -72.3 114.51 10.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.77 0.319 . . . . 0.0 110.601 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.0 m -102.02 106.91 17.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.586 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 63.4 t -95.29 132.4 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.411 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -89.76 136.85 32.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.644 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -91.15 146.21 24.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.481 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.68 -49.81 6.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.612 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -97.9 72.33 2.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.615 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.763 ' CE1' HG11 ' A' ' 37' ' ' VAL . 23.5 t-80 -170.42 -7.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.556 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.404 ' H ' ' H ' ' A' ' 51' ' ' HIS . 2.2 ptt180 -103.57 170.77 7.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.625 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.467 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . 177.17 178.94 47.26 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -142.16 147.69 37.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.827 0.346 . . . . 0.0 110.714 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mp -134.85 178.57 6.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.701 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.646 ' CE1' HH22 ' A' ' 74' ' ' ARG . 10.2 p80 -135.31 160.58 37.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.577 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.517 ' ND2' ' OG1' ' A' ' 31' ' ' THR . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-O 120.895 0.378 . . . . 0.0 110.647 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.61 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.785 0.326 . . . . 0.0 110.63 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.63 ' HB2' ' C ' ' A' ' 56' ' ' HIS . . . -56.27 -36.3 68.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.484 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.456 ' CB ' ' SG ' ' A' ' 106' ' ' CYS . 1.1 mm-40 -45.65 -42.28 11.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.661 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.509 ' CD1' ' CE1' ' A' ' 70' ' ' HIS . 13.9 mt -68.31 -57.63 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.486 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.646 HH22 ' CE1' ' A' ' 56' ' ' HIS . 5.0 ttm180 -47.42 -26.44 1.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.379 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -79.14 -37.39 38.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.435 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.94 -30.12 68.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.26 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -74.17 -18.12 60.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.386 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.53 HD23 ' HB2' ' A' ' 81' ' ' SER . 0.9 OUTLIER -79.31 -27.89 42.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.604 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.411 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 4.7 t -38.69 -59.81 1.26 Allowed Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.556 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.491 ' C ' ' H ' ' A' ' 82' ' ' LEU . 8.5 Cg_endo -50.62 -42.51 49.6 Favored 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 121.884 1.723 . . . . 0.0 111.998 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.53 ' HB2' HD23 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -52.57 -8.95 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.571 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.506 HD22 ' NE2' ' A' ' 51' ' ' HIS . 44.9 mt -102.08 -24.38 13.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.522 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 47.79 50.84 14.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.68 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 mt -61.82 134.48 56.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.569 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.53 160.92 26.03 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.403 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' A' ' 87' ' ' ALA . 43.1 Cg_endo -70.01 3.83 2.66 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 122.525 2.15 . . . . 0.0 112.272 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 86' ' ' PRO . . . -41.21 -94.63 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.67 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.757 ' H ' ' NE2' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -103.36 -177.06 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.575 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' ' 90' ' ' TYR . 3.2 mm -84.94 157.48 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.559 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.478 ' N ' HG22 ' A' ' 89' ' ' ILE . 10.9 m-85 -136.01 168.81 18.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.673 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.532 ' NH1' HH11 ' A' ' 123' ' ' ARG . 11.2 ttt180 -148.12 112.42 5.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.449 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 82.3 t -96.8 118.88 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.3 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.9 m -102.59 121.6 42.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 27.9 m0 -100.6 131.14 46.67 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.98 0.419 . . . . 0.0 110.675 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -120.7 102.76 8.61 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 177.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -109.94 137.06 43.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.166 0.508 . . . . 0.0 111.934 -177.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.497 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 3.0 p -80.71 -26.59 37.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.453 178.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.702 ' CD2' HG22 ' A' ' 31' ' ' THR . 13.2 m95 -110.87 178.3 4.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.018 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.45 ' CB ' HG23 ' A' ' 129' ' ' ILE . 1.8 t -92.37 151.31 41.31 Favored Pre-proline 0 CA--C 1.532 0.272 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.581 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 99' ' ' SER . 64.2 Cg_exo -42.2 171.02 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.355 0 C-N-CA 122.195 1.93 . . . . 0.0 112.317 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.586 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 30.3 p -108.05 -126.8 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.391 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.586 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -73.42 105.74 4.92 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.2 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.88 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 89.4 p -40.03 -25.87 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.015 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.458 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -84.9 -29.34 25.28 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.201 -179.581 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -77.3 -61.69 2.58 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . 0.456 ' SG ' ' CB ' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -74.1 -69.17 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.688 0.28 . . . . 0.0 111.219 -179.644 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.88 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -50.69 -27.64 7.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.088 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.13 -56.89 10.49 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.17 -39.04 81.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.79 0.328 . . . . 0.0 110.528 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 91.0 t -69.48 -58.57 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.515 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -41.87 -59.02 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.438 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.28 -46.3 62.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.522 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.514 ' O ' ' N ' ' A' ' 117' ' ' ASN . 20.3 t80 -54.35 -48.44 71.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.627 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.448 ' C ' ' N ' ' A' ' 116' ' ' GLU . 6.9 mp -66.66 -58.52 4.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.573 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -47.71 -18.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.301 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 114' ' ' LEU . 30.2 tt0 -110.21 -25.4 10.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.709 ' O ' HG12 ' A' ' 120' ' ' VAL . 2.5 m120 -137.03 53.9 1.88 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.843 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.0 t -61.83 2.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.827 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.48 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.1 OUTLIER -76.07 6.99 4.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.88 0.372 . . . . 0.0 110.313 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.709 HG12 ' O ' ' A' ' 117' ' ' ASN . 7.1 p -131.68 144.61 36.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.488 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.35 148.7 22.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.389 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.509 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -135.08 112.95 10.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.689 -179.557 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.532 HH11 ' NH1' ' A' ' 91' ' ' ARG . 17.1 mtp180 -112.58 127.06 55.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.123 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.0 mm -105.93 121.33 58.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.091 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.403 ' CD1' ' OE1' ' A' ' 157' ' ' GLU . 61.1 m-85 -119.89 101.77 8.1 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.807 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -91.64 111.29 22.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.159 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.497 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -76.38 -56.39 4.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.115 -179.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.758 HH12 ' H ' ' A' ' 25' ' ' GLY . 13.1 mtp180 -121.05 170.66 9.31 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.905 0.383 . . . . 0.0 110.784 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.45 HG23 ' CB ' ' A' ' 99' ' ' SER . 6.2 mt -133.94 124.66 47.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.753 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -165.38 107.72 0.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.509 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -171.31 138.78 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.63 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -75.25 9.99 1.79 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.394 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.516 ' C ' ' H ' ' A' ' 135' ' ' LEU . 50.6 m-20 -120.84 81.97 34.77 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.503 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.477 ' C ' ' H ' ' A' ' 136' ' ' TYR . 50.3 Cg_exo -50.18 -4.26 0.06 OUTLIER 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 122.527 2.151 . . . . 0.0 112.543 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.516 ' H ' ' C ' ' A' ' 133' ' ' ASP . 5.4 mt -49.99 -10.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.624 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.477 ' H ' ' C ' ' A' ' 134' ' ' PRO . 1.1 p90 -48.9 -30.81 6.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.524 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.409 ' CG ' ' N ' ' A' ' 138' ' ' GLU . 33.1 pttt -61.08 -45.67 93.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.266 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.409 ' N ' ' CG ' ' A' ' 137' ' ' LYS . 4.8 tt0 -61.85 -37.74 85.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.401 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -58.67 -38.57 78.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.387 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.8 mt -67.28 -38.15 84.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.571 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -74.32 -60.74 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.662 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.8 mmm -46.47 -38.29 8.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.505 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.496 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 16.8 mt -64.9 -49.1 71.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.421 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -49.09 -53.34 21.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.505 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.422 ' N ' ' OD1' ' A' ' 145' ' ' ASP . 1.6 m-20 -58.15 -11.15 2.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.531 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 143' ' ' LEU . . . -96.71 5.01 51.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.652 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 67.21 15.35 65.33 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -85.27 159.39 20.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.726 0.298 . . . . 0.0 110.579 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -96.7 134.09 40.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.55 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.87 116.58 30.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.537 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.18 160.21 42.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.612 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -85.79 142.38 13.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.49 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.54 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 4.5 ttt -49.91 122.31 6.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.521 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 25.1 p -100.51 177.12 5.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.688 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -63.64 -44.28 94.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.728 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.68 -46.11 90.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.622 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . 0.403 ' OE1' ' CD1' ' A' ' 125' ' ' PHE . 65.1 mt-10 -64.66 -29.15 70.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.63 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.54 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 0.5 OUTLIER -64.78 -51.59 61.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.664 -179.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . 0.431 ' O ' ' OD2' ' A' ' 163' ' ' ASP . 32.3 tttm -56.41 -49.66 73.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . 0.592 ' CD2' ' N ' ' A' ' 161' ' ' CYS . 0.6 OUTLIER -66.94 -57.85 6.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.849 -179.714 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.592 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 12.7 t -56.41 -23.37 37.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.021 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' TRP . . . . . 0.614 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 6.6 t-105 -71.02 -70.68 0.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.18 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . 0.614 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.3 OUTLIER -66.91 -14.32 62.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.652 -179.025 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 79.8 m -81.28 -27.0 35.28 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.126 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -121.85 19.63 10.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.752 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.54 ' C ' ' H ' ' A' ' 168' ' ' HIS . 75.5 t -134.14 153.48 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 121.062 0.458 . . . . 0.0 111.552 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . 0.414 ' N ' HG12 ' A' ' 166' ' ' VAL . 15.3 t70 -76.12 34.55 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.282 179.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.729 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -41.22 -54.33 2.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.733 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . 0.623 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 64.4 mt-30 41.93 16.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.141 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . 0.729 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 144.16 -2.5 1.36 Allowed Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.367 -0.693 . . . . 0.0 111.367 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . 0.623 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 0.5 OUTLIER -98.97 107.19 42.46 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.783 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -77.12 158.34 33.91 Favored 'Trans proline' 0 N--CA 1.489 1.235 0 C-N-CA 121.711 1.607 . . . . 0.0 112.398 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -51.54 149.96 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.697 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -114.29 84.78 9.75 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.434 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -77.84 131.27 11.06 Favored 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 122.142 1.895 . . . . 0.0 112.198 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 27.9 p90 -92.27 176.18 6.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.564 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.28 86.46 5.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.366 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 180' ' ' ASP . . . -168.18 -22.33 0.02 OUTLIER Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . 0.527 ' H ' HD12 ' A' ' 179' ' ' LEU . 10.4 mp -39.38 -30.11 0.06 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.934 0.397 . . . . 0.0 110.657 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 178' ' ' GLY . 1.9 m-20 -55.97 -63.41 1.19 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.212 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -84.89 -54.89 4.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 182' ' ' HIS . . . . . 0.461 ' ND1' ' C ' ' A' ' 182' ' ' HIS . 0.0 OUTLIER -41.71 -44.0 3.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.052 -179.337 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . 0.417 ' OG ' ' N ' ' A' ' 184' ' ' GLN . 5.5 p -78.99 -55.88 4.8 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.749 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . 0.417 ' N ' ' OG ' ' A' ' 183' ' ' SER . 31.6 mt-30 -49.23 -23.22 1.25 Allowed 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.402 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -79.29 -63.24 1.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.475 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 4.8 mt -58.77 -53.37 59.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.378 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 8.0 t -59.98 -43.33 95.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.257 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -51.64 -43.35 53.36 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 12.6 mmm-85 -59.84 -61.32 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.753 0.311 . . . . 0.0 110.234 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.9 mp -45.92 -45.11 15.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.35 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -53.15 -41.19 64.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.41 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -61.22 -41.85 97.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.563 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . 0.53 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.8 mp -69.92 -34.79 61.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.466 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.652 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.772 ' C ' HD13 ' A' ' 12' ' ' LEU . 1.6 t-80 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.027 0.442 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.904 HD22 ' H ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -119.52 164.01 16.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.885 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 18.6 ptp -91.0 166.97 12.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.381 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.71 141.62 97.86 Favored Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.5 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.439 ' O ' ' OG1' ' A' ' 19' ' ' THR . 73.6 Cg_exo -41.14 -46.88 5.3 Favored 'Trans proline' 0 N--CA 1.489 1.259 0 C-N-CA 122.031 1.821 . . . . 0.0 112.366 179.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -67.49 -45.23 76.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.272 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.9 mm -48.84 -43.62 14.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.699 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -71.29 -60.96 1.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.788 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.529 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -44.48 -55.74 4.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.514 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.7 t -49.77 -52.1 34.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.685 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.42 ' OD1' ' CE1' ' A' ' 32' ' ' TYR . 6.8 m120 -63.02 -15.49 56.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.63 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -133.16 35.01 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.63 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 19' ' ' THR . 27.5 t-20 -98.69 59.56 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.613 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.439 HD21 ' CD2' ' A' ' 182' ' ' HIS . 12.2 t-20 41.77 94.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.577 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.695 ' H ' ' HE ' ' A' ' 128' ' ' ARG . . . 105.14 166.99 23.98 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.493 ' C ' HD12 ' A' ' 26' ' ' ILE . 1.4 pp -140.39 -167.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 121.13 -0.228 . . . . 0.0 110.486 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -117.59 -88.76 1.33 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.97 137.1 3.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.0 110.617 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.6 m170 47.3 68.48 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.471 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.85 20.48 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.33 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.678 HG22 ' CG ' ' A' ' 98' ' ' TRP . 30.0 p -46.93 127.25 9.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.798 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.42 ' CE1' ' OD1' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -109.11 147.65 32.1 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.525 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.7 tp -142.96 111.73 6.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.365 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.539 ' SG ' ' CG ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -100.19 115.15 29.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.143 179.585 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.468 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 42.0 p90 -104.17 134.45 47.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.727 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 1.3 tm-20 -129.76 130.96 46.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.415 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.679 HG21 ' ND1' ' A' ' 51' ' ' HIS . 58.9 t -104.67 118.94 52.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.775 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -122.26 166.31 14.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.304 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -128.71 133.42 48.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.185 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.411 ' CB ' HD11 ' A' ' 89' ' ' ILE . 1.4 mp -101.4 99.09 9.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.836 0.351 . . . . 0.0 110.672 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.83 99.08 8.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.564 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 54.12 48.3 21.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.691 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.51 -24.9 4.69 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.6 m -71.04 101.18 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.734 0.302 . . . . 0.0 110.585 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.7 p -90.56 122.99 33.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.539 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -133.76 124.97 48.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.606 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 pttp -81.71 139.54 34.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.548 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 mmt -76.45 161.41 28.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.601 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.91 -50.25 5.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.552 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.446 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 2.3 pt20 -106.71 77.4 1.18 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.407 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.845 ' NE2' HD22 ' A' ' 82' ' ' LEU . 8.3 t-80 -172.29 2.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.518 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.401 ' H ' ' H ' ' A' ' 51' ' ' HIS . 1.4 ptt180 -113.34 170.14 8.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.665 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.468 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . 172.75 -167.7 40.61 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -144.29 156.52 44.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.786 0.327 . . . . 0.0 110.617 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.2 mt -137.5 178.61 6.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.583 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -154.93 151.02 28.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.377 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 15.4 p-10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.732 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.605 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.904 0.383 . . . . 0.0 110.523 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.46 -42.23 62.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.408 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -50.84 -35.9 34.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.621 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.7 mp -70.5 -54.0 13.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.531 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -55.52 -24.66 33.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.353 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -74.51 -49.43 22.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.235 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.4 tp -61.42 -19.46 61.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.469 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -40.31 94.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.625 -179.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 pp -95.25 -5.32 43.98 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.283 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.42 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 3.2 t -55.04 -58.06 16.6 Favored Pre-proline 0 CA--C 1.535 0.376 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.386 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 12.9 Cg_endo -56.82 -17.37 23.22 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.599 1.532 . . . . 0.0 111.827 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 p -66.74 -8.75 30.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.621 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.845 HD22 ' NE2' ' A' ' 51' ' ' HIS . 33.6 mt -92.28 -24.74 18.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.579 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 51.08 49.49 21.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.814 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.4 mt -58.25 136.86 57.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.348 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.0 161.38 25.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.62 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.88 -10.52 24.89 Favored 'Trans proline' 0 C--N 1.31 -1.481 0 C-N-CA 122.664 2.243 . . . . 0.0 112.1 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.43 ' C ' ' NE2' ' A' ' 88' ' ' GLN . . . -40.85 -77.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.691 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.57 ' N ' ' NE2' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -109.54 161.47 15.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.453 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.411 HD11 ' CB ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -89.08 153.33 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.415 179.877 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -129.23 132.17 47.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -97.97 110.58 23.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.771 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.7 t -90.64 110.28 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.203 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.74 119.36 32.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.67 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -103.55 132.02 50.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.786 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.535 ' CE1' ' OE1' ' A' ' 157' ' ' GLU . 79.5 m-85 -125.13 103.32 7.92 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.79 145.67 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.095 0.474 . . . . 0.0 111.886 -178.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.664 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 2.8 p -96.95 -29.54 13.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.955 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.678 ' CG ' HG22 ' A' ' 31' ' ' THR . 15.8 m95 -111.72 140.78 46.06 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.583 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.03 160.7 54.3 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.426 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -60.25 173.01 2.13 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 122.517 2.144 . . . . 0.0 112.108 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -111.76 -57.35 2.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.2 OUTLIER -127.0 109.28 11.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.859 179.817 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.528 ' O ' ' N ' ' A' ' 108' ' ' GLY . 93.5 p -41.11 -34.67 0.47 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.893 -179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -85.28 -22.81 28.42 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.371 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.36 -63.17 1.59 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.7 -67.99 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.643 0.258 . . . . 0.0 111.105 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.599 ' HB1' HD13 ' A' ' 143' ' ' LEU . . . -60.04 -31.06 69.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.935 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -65.23 -59.24 8.12 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -53.83 -27.91 32.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.91 0.386 . . . . 0.0 110.303 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.7 t -72.28 -63.01 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.75 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.408 HH22 ' HE2' ' A' ' 142' ' ' MET . 8.9 ptp180 -51.2 -32.2 22.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.205 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.36 -61.62 2.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.148 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.408 ' CZ ' ' CG1' ' A' ' 79' ' ' VAL . 31.6 t80 -46.29 -31.36 2.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.175 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.3 tp -70.92 -52.9 17.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.27 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -48.67 -24.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.36 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -99.15 -46.35 5.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.16 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.631 ' O ' HG22 ' A' ' 120' ' ' VAL . 3.1 m120 -104.3 41.59 1.29 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.998 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.454 ' C ' ' H ' ' A' ' 120' ' ' VAL . 15.1 t -45.56 -13.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.146 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.538 ' CE1' ' CG1' ' A' ' 120' ' ' VAL . 17.6 p80 -76.24 20.37 0.21 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.918 0.389 . . . . 0.0 110.579 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 117' ' ' ASN . 4.2 m -142.0 146.58 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.825 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.32 148.45 22.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.191 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.493 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -127.18 112.31 14.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.618 -179.655 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.639 HH21 HE21 ' A' ' 149' ' ' GLN . 44.9 mtp180 -117.17 117.68 30.24 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.954 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.7 mt -105.63 134.76 46.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.372 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -127.13 116.25 20.37 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.438 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -95.31 113.83 25.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.254 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.664 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -85.93 -41.21 15.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.695 ' HE ' ' H ' ' A' ' 25' ' ' GLY . 0.5 OUTLIER -135.72 142.99 45.12 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.446 179.826 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.521 ' O ' ' CG ' ' A' ' 130' ' ' TYR . 0.5 OUTLIER -103.15 119.83 52.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.747 -179.754 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.521 ' CG ' ' O ' ' A' ' 129' ' ' ILE . 28.3 m-85 -164.64 119.77 1.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.451 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.47 ' C ' ' H ' ' A' ' 133' ' ' ASP . 1.8 p-10 -179.77 133.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.603 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -70.04 9.89 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.503 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.507 ' C ' ' H ' ' A' ' 135' ' ' LEU . 35.2 t0 -126.23 79.4 70.03 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.344 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.481 ' C ' ' H ' ' A' ' 136' ' ' TYR . 52.9 Cg_exo -49.11 -5.27 0.05 OUTLIER 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 122.669 2.246 . . . . 0.0 112.625 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.507 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.6 tp -49.17 -11.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.36 . . . . 0.0 110.63 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.481 ' H ' ' C ' ' A' ' 134' ' ' PRO . 0.1 OUTLIER -42.17 -26.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.534 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -62.83 -55.94 21.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.388 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -62.61 -18.77 62.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.432 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 136' ' ' TYR . . . -67.83 -52.02 41.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.449 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.422 HD21 HD11 ' A' ' 190' ' ' LEU . 9.8 mp -63.54 -35.61 81.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.52 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -71.58 -58.06 3.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.536 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.408 ' HE2' HH22 ' A' ' 111' ' ' ARG . 5.8 mmm -47.06 -36.44 8.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.491 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.599 HD13 ' HB1' ' A' ' 107' ' ' ALA . 2.1 tp -80.56 -34.01 35.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.585 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -52.98 -37.66 61.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.55 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.33 -3.04 58.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.525 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -95.29 -22.13 17.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.632 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 90.25 87.5 1.34 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -156.54 163.7 39.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.753 0.311 . . . . 0.0 110.537 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . 0.639 HE21 HH21 ' A' ' 123' ' ' ARG . 0.0 OUTLIER -103.1 108.31 19.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.678 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -116.82 121.35 67.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.436 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.36 162.09 41.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.825 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.3 tp -82.74 152.19 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.415 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 9.0 ttm -45.71 123.58 4.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.658 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . 0.455 ' H ' ' HB2' ' A' ' 157' ' ' GLU . 2.6 p -105.41 171.98 7.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.477 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -55.84 -59.22 5.18 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.397 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 156' ' ' ASP . 13.2 p-10 -60.7 -20.44 61.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . 0.535 ' OE1' ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -51.15 -66.19 0.43 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 -179.527 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.575 ' CE1' ' CE2' ' A' ' 173' ' ' PHE . 13.2 p90 -72.32 -29.69 64.06 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.136 -179.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . 0.445 ' N ' ' CD1' ' A' ' 158' ' ' PHE . 19.9 tttp -49.28 -60.75 2.55 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.543 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . 0.552 ' CD2' ' N ' ' A' ' 161' ' ' CYS . 0.2 OUTLIER -68.22 -57.74 5.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.901 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.552 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 1.7 m -47.29 -31.58 3.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.837 -179.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' TRP . . . . . 0.514 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 15.5 t-105 -66.86 -70.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.475 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . 0.514 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -52.96 -19.42 2.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.843 -179.839 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 5.1 m -87.69 -57.13 3.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.955 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.539 ' CG ' ' SG ' ' A' ' 34' ' ' CYS . 65.4 m-85 -85.72 20.0 2.29 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.495 ' C ' ' H ' ' A' ' 168' ' ' HIS . 61.1 t -144.03 134.87 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.295 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 169' ' ' GLN . 10.3 t0 -74.98 41.52 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 178.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.693 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -44.47 -15.75 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.542 -179.612 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . 0.528 ' N ' ' O ' ' A' ' 167' ' ' ASP . 35.3 mm-40 42.78 15.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.474 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . 0.693 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 122.79 29.79 1.22 Allowed Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.439 -0.665 . . . . 0.0 111.439 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . 0.625 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.8 OUTLIER -116.12 85.21 14.92 Favored Pre-proline 0 CA--C 1.534 0.333 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.695 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -47.96 162.17 0.3 Allowed 'Trans proline' 0 N--CA 1.492 1.412 0 C-N-CA 122.428 2.086 . . . . 0.0 112.582 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.575 ' CE2' ' CE1' ' A' ' 158' ' ' PHE . 56.1 t80 -54.53 149.92 9.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.175 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -114.51 86.0 11.87 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.203 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -78.13 139.17 16.79 Favored 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 122.167 1.912 . . . . 0.0 112.649 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 42.9 p90 -98.12 -165.64 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.525 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -101.72 109.99 21.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.627 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 152.24 -19.11 0.82 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.856 -0.897 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.3 mp -40.5 -41.52 1.45 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.736 0.303 . . . . 0.0 110.743 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 180' ' ' ASP . 17.4 p-10 -68.74 -52.18 33.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.839 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -60.84 -61.69 2.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.737 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 182' ' ' HIS . . . . . 0.439 ' CD2' HD21 ' A' ' 24' ' ' ASN . 68.4 m-70 -48.55 -55.0 12.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.603 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 59.3 p -50.01 -46.69 53.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.634 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -61.37 -36.97 81.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.536 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -70.05 -65.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.58 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 7.0 mt -52.3 -53.2 47.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.536 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 17.5 t -55.65 -33.16 63.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.502 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -59.06 -48.17 87.22 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 189' ' ' ARG . . . . . 0.503 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 24.9 ttp180 -60.19 -51.51 69.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 110.451 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.422 HD11 HD21 ' A' ' 140' ' ' LEU . 0.4 OUTLIER -47.88 -48.33 31.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.349 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -66.56 -27.64 67.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.56 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 192' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -60.88 -40.43 92.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.577 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . 0.562 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -84.79 -27.39 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.566 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.644 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.411 ' C ' HD22 ' A' ' 12' ' ' LEU . 1.2 p-80 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.878 0.37 . . . . 0.0 110.485 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.832 HD22 ' N ' ' A' ' 12' ' ' LEU . 1.5 mm? -100.87 172.96 6.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.951 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.489 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 1.7 mpp? -84.56 160.33 20.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.216 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -76.33 145.77 76.74 Favored Pre-proline 0 CA--C 1.535 0.393 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.481 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -40.56 -53.01 2.9 Favored 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 122.172 1.915 . . . . 0.0 112.341 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -63.14 -49.23 75.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.099 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.9 mm -48.9 -39.8 11.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.85 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -72.16 -60.55 2.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.756 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 23' ' ' ASN . 40.0 p -47.89 -40.96 23.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.684 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 t -60.51 -51.04 71.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.638 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.603 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 14.3 m120 -73.98 -4.71 36.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.574 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -133.26 25.22 4.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.539 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' A' ' 19' ' ' THR . 0.6 OUTLIER -75.08 59.39 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.498 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.556 HD21 ' CD2' ' A' ' 182' ' ' HIS . 5.1 t-20 42.05 -144.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.472 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -42.75 126.25 4.64 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.475 HG23 ' O ' ' A' ' 24' ' ' ASN . 5.9 pt -135.12 -174.96 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.828 0.347 . . . . 0.0 110.576 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.79 83.35 0.08 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.522 ' O ' ' CH2' ' A' ' 98' ' ' TRP . 0.2 OUTLIER -162.52 157.35 22.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 110.526 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -93.65 82.15 4.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.537 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.405 ' HA ' HD21 ' A' ' 57' ' ' ASN . 4.0 ttpt -169.71 45.17 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.678 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.515 HG22 ' CG ' ' A' ' 57' ' ' ASN . 3.0 t -46.58 148.88 0.88 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.858 0.361 . . . . 0.0 111.125 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.603 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -110.43 148.27 32.37 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.643 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.407 HD12 ' N ' ' A' ' 34' ' ' CYS . 9.1 tp -138.55 111.13 7.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.152 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.407 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -104.41 112.17 25.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.329 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.562 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 20.8 p90 -102.53 139.52 38.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 1.1 tm-20 -125.51 139.17 53.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.198 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.771 HG11 ' CE1' ' A' ' 51' ' ' HIS . 8.7 t -110.17 128.22 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -136.61 149.58 48.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.389 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.488 ' NH1' ' OD2' ' A' ' 41' ' ' ASP . 58.4 ttt-85 -104.42 133.58 49.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.602 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 tp -91.31 127.94 36.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.578 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.488 ' OD2' ' NH1' ' A' ' 39' ' ' ARG . 1.7 t70 -143.38 106.71 4.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.609 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.443 ' C ' ' H ' ' A' ' 44' ' ' THR . 49.2 t30 57.12 43.46 24.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.565 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.15 -25.43 1.9 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.443 ' H ' ' C ' ' A' ' 42' ' ' ASN . 96.3 m -79.71 113.03 17.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 0.0 110.548 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.1 p -79.44 148.79 31.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.546 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.2 t -128.79 99.73 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.495 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -68.77 136.69 53.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.571 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 mtp -97.16 150.44 20.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.587 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -93.46 -50.08 5.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.635 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.421 ' O ' ' OE1' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -100.14 74.5 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.482 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.771 ' CE1' HG11 ' A' ' 37' ' ' VAL . 24.2 t-80 -172.25 -5.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.476 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.415 ' H ' ' H ' ' A' ' 51' ' ' HIS . 0.1 OUTLIER -100.9 170.97 7.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.555 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -175.91 178.52 47.39 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -139.51 148.23 42.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.725 0.298 . . . . 0.0 110.566 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mt -135.87 176.21 8.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.579 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.704 ' C ' ' HB2' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -139.81 152.82 46.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.328 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.551 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 3.1 p-10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.612 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.81 0.338 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.704 ' HB2' ' C ' ' A' ' 56' ' ' HIS . . . -56.1 -15.24 3.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.27 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -48.2 -52.22 21.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.472 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.4 mt -63.07 -51.9 64.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.353 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.87 -28.36 22.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.3 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.562 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 54.9 t80 -79.8 -39.4 30.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.371 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.1 tp -58.77 -23.8 60.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.058 0.456 . . . . 0.0 110.055 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.1 -15.62 61.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.53 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.6 tt -93.42 -16.37 24.65 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.194 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.562 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -58.03 -42.05 93.1 Favored Pre-proline 0 CA--C 1.532 0.278 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.57 -178.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 9.5 Cg_exo -68.27 -24.07 38.04 Favored 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.519 2.146 . . . . 0.0 111.913 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -8.57 54.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.816 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.502 HD22 ' NE2' ' A' ' 51' ' ' HIS . 29.7 mt -98.29 2.29 48.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.778 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 51.63 12.36 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.662 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.598 HD11 ' CD1' ' A' ' 90' ' ' TYR . 0.9 OUTLIER -47.99 120.73 3.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.522 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.74 162.31 20.08 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -73.26 -25.91 15.19 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 C-N-CA 122.618 2.212 . . . . 0.0 112.005 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.565 ' HB1' HE22 ' A' ' 88' ' ' GLN . . . -40.47 -71.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.792 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.639 ' N ' ' NE2' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -84.01 -175.61 5.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.526 -179.796 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.619 ' H ' HD12 ' A' ' 89' ' ' ILE . 0.2 OUTLIER -121.83 157.28 25.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.251 179.736 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.598 ' CD1' HD11 ' A' ' 84' ' ' LEU . 62.8 m-85 -150.69 135.91 17.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.96 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.58 HH21 ' CZ ' ' A' ' 123' ' ' ARG . 4.7 ttp180 -91.19 109.77 21.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.522 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 38.1 t -95.63 116.82 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.043 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.58 114.25 28.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.343 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 23.9 m0 -100.54 132.26 46.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.799 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -125.14 103.24 7.88 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.14 144.71 17.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.365 -178.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.647 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 1.6 p -94.58 -27.96 15.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.111 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.522 ' CH2' ' O ' ' A' ' 28' ' ' ARG . 17.5 m95 -111.65 147.08 36.29 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.169 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -70.3 157.92 88.79 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.642 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' A' ' 99' ' ' SER . 53.8 Cg_exo -42.32 171.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 122.462 2.108 . . . . 0.0 112.354 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 p -116.01 -44.68 2.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.292 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.524 ' O ' ' N ' ' A' ' 105' ' ' GLY . 3.2 t80 -143.79 114.39 7.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.976 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 54.1 p -42.88 -36.14 1.41 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.795 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -84.98 -19.2 32.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.086 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.45 -62.89 1.6 Allowed Glycine 0 CA--C 1.526 0.754 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.442 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.59 -69.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 0.0 111.328 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.97 -21.88 59.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.012 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -73.01 -59.6 4.22 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -53.13 -38.86 63.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.785 0.326 . . . . 0.0 110.548 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 74.6 t -69.68 -54.69 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.768 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 61.8 ttt-85 -44.94 -59.3 2.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.715 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.69 -61.55 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.473 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 117' ' ' ASN . 55.8 t80 -45.68 -42.97 12.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.376 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.46 ' C ' ' N ' ' A' ' 116' ' ' GLU . 1.5 mp -63.67 -58.57 6.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.502 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -46.86 -17.71 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.268 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.46 ' N ' ' C ' ' A' ' 114' ' ' LEU . 3.4 mt-10 -108.79 -30.18 8.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.099 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.633 ' O ' HG22 ' A' ' 120' ' ' VAL . 3.6 m-80 -127.25 49.29 2.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.969 0.414 . . . . 0.0 110.78 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.406 ' C ' ' H ' ' A' ' 120' ' ' VAL . 0.1 OUTLIER -59.61 -1.0 0.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.777 179.884 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.475 ' H ' ' C ' ' A' ' 117' ' ' ASN . 7.9 p80 -76.31 13.35 0.95 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.945 0.402 . . . . 0.0 110.308 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 117' ' ' ASN . 15.4 m -131.89 133.51 60.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.689 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -91.51 100.71 13.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.192 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.474 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -86.74 112.6 21.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.64 -179.594 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.58 ' CZ ' HH21 ' A' ' 91' ' ' ARG . 17.8 mtm180 -112.31 120.36 41.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.167 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 12.6 mt -106.0 129.58 58.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.031 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -123.05 98.24 5.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.062 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.08 108.81 10.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.491 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.647 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -78.57 -38.79 39.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.455 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.488 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -138.63 147.53 43.02 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.678 179.878 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.444 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 0.9 OUTLIER -105.16 141.1 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.561 -179.869 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.444 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 4.4 m-85 -168.63 135.17 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.566 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.41 171.66 3.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.545 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -104.01 -16.97 15.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.588 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.45 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -139.05 162.65 51.18 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.48 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -70.52 17.93 0.23 Allowed 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.573 2.182 . . . . 0.0 112.103 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.45 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.3 mt -61.81 -34.06 75.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.628 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -52.26 -21.26 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.622 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -70.61 -53.83 14.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.522 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -67.21 -21.21 65.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.587 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.95 -50.46 49.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.508 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.617 ' CD2' HD21 ' A' ' 190' ' ' LEU . 1.6 mp -61.76 -48.23 81.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.62 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -63.19 -59.73 4.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.513 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -44.53 -31.39 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.583 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.1 tp -81.9 -39.18 24.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.569 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -51.63 -33.83 34.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.599 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -73.45 -16.05 61.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.601 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.7 -19.93 51.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.606 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 102.55 -22.5 37.22 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -54.24 164.29 0.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.492 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -101.69 130.12 47.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.524 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.15 110.88 17.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.54 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 34.8 t -149.74 162.06 41.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.54 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.536 HD12 ' N ' ' A' ' 152' ' ' ILE . 1.7 mp -80.01 137.03 22.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.487 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 1.1 tpt -43.53 133.18 4.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.562 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 60.4 p -104.3 151.91 22.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.56 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -45.42 -49.67 13.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.602 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -57.82 -49.99 74.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.483 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.22 -28.66 68.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.588 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.03 -38.89 86.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.531 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 17.1 tttm -65.96 -46.9 76.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.592 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . 0.59 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.39 -52.7 24.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.349 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.59 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 10.7 t -58.19 -23.57 56.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.592 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' TRP . . . . . 0.629 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 3.8 t-105 -71.45 -70.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.822 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . 0.629 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -62.71 -26.47 68.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.126 -179.524 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 91.6 m -70.82 -23.14 62.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.412 -179.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.489 ' O ' ' SD ' ' A' ' 13' ' ' MET . 52.1 m-85 -121.31 18.75 11.45 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.575 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.482 ' C ' ' H ' ' A' ' 168' ' ' HIS . 25.0 t -142.25 137.87 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.814 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . 0.481 ' C ' ' N ' ' A' ' 169' ' ' GLN . 2.4 p-10 -71.95 41.33 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.039 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.701 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.2 OUTLIER -50.93 -11.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.07 -179.839 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . 0.481 ' N ' ' C ' ' A' ' 167' ' ' ASP . 29.8 mm-40 44.72 14.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.958 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . 0.701 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 119.29 38.4 0.74 Allowed Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.626 -0.59 . . . . 0.0 111.626 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . 0.696 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.1 OUTLIER -120.45 109.47 36.59 Favored Pre-proline 0 CA--C 1.538 0.485 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 179.634 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -78.76 132.03 10.57 Favored 'Trans proline' 0 N--CA 1.488 1.155 0 C-N-CA 121.832 1.688 . . . . 0.0 112.143 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.461 ' CD2' ' O ' ' A' ' 173' ' ' PHE . 1.2 t80 -83.94 119.48 24.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.671 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.18 156.56 46.2 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.93 138.15 30.74 Favored 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 122.382 2.055 . . . . 0.0 112.215 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -87.21 -171.54 3.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.333 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.87 94.65 9.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.402 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 138.66 -19.39 3.16 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 2.9 tt -44.88 -39.3 5.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.881 0.372 . . . . 0.0 110.546 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . 0.445 ' CG ' ' N ' ' A' ' 181' ' ' GLU . 0.9 OUTLIER -79.03 -44.07 22.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.537 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . 0.445 ' N ' ' CG ' ' A' ' 180' ' ' ASP . 59.7 mt-10 -54.58 -56.53 18.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.55 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 182' ' ' HIS . . . . . 0.556 ' CD2' HD21 ' A' ' 24' ' ' ASN . 93.0 m-70 -61.55 -52.99 62.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.549 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 58.5 m -48.17 -45.61 33.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.56 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -62.72 -39.86 95.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.565 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -62.36 -58.69 6.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.495 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 38.7 mt -59.81 -53.83 53.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.536 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 64.8 m -50.67 -41.69 55.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.573 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -55.81 -55.27 29.84 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.88 -55.53 9.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.844 0.354 . . . . 0.0 110.575 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.617 HD21 ' CD2' ' A' ' 140' ' ' LEU . 0.1 OUTLIER -56.84 -48.9 76.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.372 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 2.0 mtm-85 -49.54 -26.34 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.547 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -83.84 -33.7 24.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.541 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 19.1 mt -70.6 -34.76 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.53 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . 0.491 HD13 HD12 ' A' ' 190' ' ' LEU . 1.8 mp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.55 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.436 ' CD2' ' O ' ' A' ' 12' ' ' LEU . 19.6 t-160 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.87 0.367 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.436 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 7.6 mp -102.76 173.47 6.31 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.047 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 50.4 mtm -62.59 146.1 52.78 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.103 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.5 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 2.4 m-20 -65.66 141.71 97.93 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.599 -179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.408 ' O ' ' OG1' ' A' ' 19' ' ' THR . 85.0 Cg_exo -40.81 -55.46 2.0 Favored 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 122.079 1.853 . . . . 0.0 112.22 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -48.76 80.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.188 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 mm -48.89 -51.5 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.649 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.42 ' CZ ' ' CD2' ' A' ' 22' ' ' PHE . 41.7 t80 -59.91 -60.87 3.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.663 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -45.34 -56.19 5.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.603 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -52.45 -31.25 33.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.636 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.494 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 19.7 m120 -87.16 -10.76 51.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.625 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.42 ' CD2' ' CZ ' ' A' ' 18' ' ' PHE . 45.0 m-85 -133.21 28.62 4.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.475 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 19' ' ' THR . 26.8 t-20 -90.81 105.94 18.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.515 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.614 HD22 HH12 ' A' ' 128' ' ' ARG . 0.1 OUTLIER -41.26 150.59 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.614 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.661 ' H ' ' NH2' ' A' ' 128' ' ' ARG . . . 73.18 72.83 0.93 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.444 HG23 ' O ' ' A' ' 23' ' ' ASN . 1.1 pt -137.55 175.29 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.601 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -162.25 9.47 0.1 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.5 ' O ' ' CZ2' ' A' ' 98' ' ' TRP . 0.1 OUTLIER -71.56 153.86 41.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.58 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -95.78 84.89 3.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.499 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -171.35 51.21 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.718 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.522 HG22 ' CG ' ' A' ' 57' ' ' ASN . 5.7 t -46.67 147.6 1.21 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.842 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.494 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -110.93 147.71 34.06 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.608 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.589 HD23 ' N ' ' A' ' 34' ' ' CYS . 3.5 tt -138.44 114.41 10.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.647 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.589 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -106.83 116.26 31.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.268 179.579 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.465 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 12.2 p90 -107.27 134.48 50.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.681 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.409 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 2.0 tm-20 -128.31 143.3 51.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.458 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.699 HG21 ' CE1' ' A' ' 51' ' ' HIS . 38.5 t -108.45 135.39 47.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.791 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -141.37 122.12 14.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.488 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -93.2 138.7 31.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.57 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.491 HD12 ' HB ' ' A' ' 89' ' ' ILE . 32.7 mt -86.43 149.02 25.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.543 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.71 96.96 1.8 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.515 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.513 ' N ' ' OD1' ' A' ' 42' ' ' ASN . 0.9 OUTLIER 58.62 52.67 6.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.576 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.28 -6.38 4.31 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.437 ' H ' ' C ' ' A' ' 42' ' ' ASN . 0.6 OUTLIER -95.57 110.35 22.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.341 . . . . 0.0 110.595 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.8 p -80.08 116.06 19.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.541 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 84.1 t -100.96 114.38 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.6 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -78.85 141.42 37.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.465 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.59 142.69 31.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.743 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.466 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -96.11 -50.17 4.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.469 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -92.85 59.01 3.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.408 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.711 ' NE2' HD22 ' A' ' 82' ' ' LEU . 25.3 t-80 -168.37 31.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.427 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.466 ' NH2' ' O ' ' A' ' 49' ' ' ASP . 0.4 OUTLIER -132.42 170.72 14.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.505 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -174.45 -178.82 44.64 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -149.47 138.94 21.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.712 0.291 . . . . 0.0 110.655 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 mp -135.35 162.08 33.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.513 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -131.05 160.64 34.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.45 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.522 ' CG ' HG22 ' A' ' 31' ' ' THR . 4.7 p-10 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.624 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.593 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.744 0.307 . . . . 0.0 110.577 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.03 -29.04 55.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.424 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.492 ' OE2' ' SG ' ' A' ' 106' ' ' CYS . 34.4 mt-10 -68.31 -36.9 80.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.409 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 73' ' ' LEU . 10.8 mp -72.72 -59.42 2.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.479 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.49 -30.67 8.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.382 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -74.12 -45.83 46.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.392 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -20.15 65.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.319 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -76.95 -27.83 54.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.011 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.654 ' C ' HD12 ' A' ' 78' ' ' LEU . 4.1 pp -106.14 7.25 31.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.584 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -64.29 -41.35 59.67 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 179.851 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 28.1 Cg_exo -58.88 -17.88 39.22 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.192 1.928 . . . . 0.0 111.84 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.1 m -56.89 -8.9 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.577 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.711 HD22 ' NE2' ' A' ' 51' ' ' HIS . 20.7 mt -101.19 -43.58 5.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.436 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 67.56 47.63 1.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.716 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 mt -56.16 136.06 52.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.44 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -101.6 157.48 33.59 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.476 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -69.9 -1.09 8.0 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 122.388 2.058 . . . . 0.0 112.096 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.49 ' HB1' ' NE2' ' A' ' 88' ' ' GLN . . . -41.65 -75.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.603 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.55 ' N ' ' NE2' ' A' ' 88' ' ' GLN . 0.3 OUTLIER -111.64 -179.58 3.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.462 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.491 ' HB ' HD12 ' A' ' 40' ' ' LEU . 1.5 mt -89.23 157.52 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.601 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.451 ' HB2' HG22 ' A' ' 120' ' ' VAL . 29.3 m-85 -133.5 161.1 35.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.687 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.409 ' HE ' ' HB2' ' A' ' 121' ' ' ARG . 17.4 ttm180 -142.75 103.95 4.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.553 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.0 t -89.06 123.11 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.433 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.24 117.04 30.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.745 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.559 ' CD1' HD21 ' A' ' 122' ' ' LEU . 14.9 m0 -100.25 132.48 45.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.008 0.433 . . . . 0.0 110.081 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.581 ' CE2' ' SG ' ' A' ' 161' ' ' CYS . 58.4 m-85 -125.41 102.87 7.61 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.51 129.18 63.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.573 -178.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.64 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 1.4 p -83.79 -27.87 28.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.247 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.5 ' CZ2' ' O ' ' A' ' 28' ' ' ARG . 19.3 m95 -113.05 139.2 48.89 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.361 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.85 163.0 0.88 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.635 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.62 167.34 27.39 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.651 2.234 . . . . 0.0 112.234 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.549 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 17.9 p -107.13 -142.29 0.38 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.338 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.549 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -44.2 100.18 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.485 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.894 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 16.7 t -40.85 -25.45 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.508 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.451 ' N ' ' O ' ' A' ' 102' ' ' PHE . 24.7 t90 -86.04 -28.25 24.26 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.598 -179.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -81.47 -61.88 2.03 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . 0.492 ' SG ' ' OE2' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -69.74 -68.98 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 0.0 110.928 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.894 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -52.31 -53.4 44.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.692 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -42.28 -56.57 3.98 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -46.82 -48.9 20.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.863 0.363 . . . . 0.0 110.115 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.25 -52.88 54.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.432 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.501 ' NH2' ' OE1' ' A' ' 115' ' ' GLN . 65.8 ttt-85 -42.01 -58.9 1.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.471 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.15 -55.35 8.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.291 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.512 ' O ' ' N ' ' A' ' 117' ' ' ASN . 17.1 t80 -51.96 -47.02 65.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.459 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 117' ' ' ASN . 2.4 mt -59.33 -58.46 8.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.492 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.501 ' OE1' ' NH2' ' A' ' 111' ' ' ARG . 21.6 mt-30 -48.97 -20.45 0.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.194 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 114' ' ' LEU . 3.1 mt-10 -109.92 -9.04 14.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.655 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 113' ' ' PHE . 70.3 m-80 -134.11 37.44 3.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.753 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.2 p -48.14 -19.33 0.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.43 ' CD2' HG23 ' A' ' 120' ' ' VAL . 0.5 OUTLIER -81.71 17.11 1.55 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.872 0.368 . . . . 0.0 110.657 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.451 HG22 ' HB2' ' A' ' 90' ' ' TYR . 28.4 t -131.32 124.45 55.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.396 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.409 ' HB2' ' HE ' ' A' ' 91' ' ' ARG . 4.7 mmp_? -91.65 120.06 32.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.557 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.559 HD21 ' CD1' ' A' ' 94' ' ' TRP . 0.9 OUTLIER -105.72 133.44 50.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.799 -179.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.419 ' C ' HD12 ' A' ' 124' ' ' ILE . 12.1 mtm180 -124.19 122.59 38.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.129 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.466 ' N ' HD12 ' A' ' 124' ' ' ILE . 1.8 mp -105.2 130.83 55.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.78 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -124.93 99.4 6.12 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.472 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -76.96 101.74 6.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.438 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.64 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -73.23 -38.01 66.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.479 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.661 ' NH2' ' H ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -141.76 138.82 32.57 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.906 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -104.22 121.23 55.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.535 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.401 ' CD1' ' CZ3' ' A' ' 98' ' ' TRP . 91.5 t80 -104.66 153.8 20.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.416 179.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -86.97 79.14 8.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.611 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -91.07 -61.06 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.535 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.463 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -159.01 160.22 29.12 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.383 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -69.97 19.51 0.19 Allowed 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.525 2.15 . . . . 0.0 112.047 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.463 ' H ' ' C ' ' A' ' 133' ' ' ASP . 2.3 mm? -91.95 -23.96 19.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.499 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -46.13 -32.17 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.541 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.404 ' HE3' HE22 ' A' ' 141' ' ' GLN . 50.3 tttt -66.13 -58.76 4.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.503 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -51.48 -28.8 14.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.43 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.5 -56.68 11.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.4 mt -51.12 -32.29 22.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.457 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.404 HE22 ' HE3' ' A' ' 137' ' ' LYS . 21.2 mt-30 -79.7 -43.23 23.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.611 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.496 ' SD ' ' O ' ' A' ' 103' ' ' SER . 0.5 OUTLIER -55.29 -52.13 64.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.63 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 4.8 mt -64.87 -47.65 77.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.549 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 14.7 ttp85 -48.77 -33.6 10.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.566 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -82.84 -23.26 33.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.581 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -76.58 -16.81 59.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.549 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 102.37 -8.61 55.34 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -69.8 156.41 39.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 110.456 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -96.44 135.58 38.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.506 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.22 116.68 29.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.623 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.6 m -153.13 162.03 41.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.558 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 10.0 mt -82.09 128.38 38.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.475 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.587 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 2.9 ttm -49.07 123.97 8.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 72.3 p -95.22 176.28 6.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.631 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -61.49 -48.39 81.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.654 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.1 -54.49 42.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.503 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -56.41 -36.61 69.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.496 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.587 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.4 OUTLIER -59.5 -44.72 93.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.563 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 34.7 tttm -58.89 -43.27 90.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.773 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . 0.599 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.25 -56.09 8.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.562 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.599 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 0.0 OUTLIER -58.85 -23.72 61.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.553 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' TRP . . . . . 0.635 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 4.4 t-105 -68.86 -70.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.945 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . 0.635 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -63.7 -29.12 70.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.267 -179.372 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 97.6 m -66.63 -25.25 66.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.07 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -121.26 18.96 11.49 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.071 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.525 ' C ' ' H ' ' A' ' 168' ' ' HIS . 71.3 t -135.08 146.29 30.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.806 0.336 . . . . 0.0 111.324 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 167' ' ' ASP . 4.1 p30 -75.16 37.52 0.12 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.742 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -36.17 -57.14 0.73 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.162 -179.606 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . 0.631 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 26.0 mt-30 40.75 17.8 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.083 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . 0.742 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 142.85 -0.79 1.43 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . 0.621 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 1.2 m -115.01 87.06 14.57 Favored Pre-proline 0 CA--C 1.531 0.231 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . 0.418 ' HA ' ' HE1' ' A' ' 162' ' ' TRP . 59.1 Cg_endo -80.37 160.22 22.8 Favored 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 122.29 1.993 . . . . 0.0 112.797 -178.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.48 ' O ' ' NE2' ' A' ' 174' ' ' GLN . 37.0 t80 -53.51 141.34 25.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.6 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' A' ' 173' ' ' PHE . 0.4 OUTLIER -124.1 86.68 53.93 Favored Pre-proline 0 CA--C 1.535 0.391 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.422 -179.807 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -51.4 131.4 36.34 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.238 1.958 . . . . 0.0 112.083 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 14.7 p90 -101.25 157.97 16.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.59 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.82 91.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.585 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 165.58 -33.97 0.24 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.38 -47.55 69.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.756 0.312 . . . . 0.0 110.349 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -53.33 -61.99 1.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.51 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -50.6 -50.18 54.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.557 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -53.27 -48.02 68.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.542 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 6.4 p -48.0 -47.78 33.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.448 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -61.84 -32.67 73.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.524 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -69.13 -59.4 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.582 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.17 -55.06 32.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 96.4 p -44.61 -51.89 8.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.506 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -53.36 -44.45 65.87 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.856 -0.897 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -49.96 -57.65 7.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.739 0.304 . . . . 0.0 110.598 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.444 ' C ' ' N ' ' A' ' 192' ' ' ALA . 1.0 OUTLIER -61.88 -56.57 17.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.611 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -45.98 -18.82 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.615 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 192' ' ' ALA . . . . . 0.444 ' N ' ' C ' ' A' ' 190' ' ' LEU . . . -93.18 -55.5 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.809 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 5.7 tt -59.08 -26.6 33.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.581 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 2.3 tp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.546 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.9 0.381 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.839 HD22 ' N ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -100.48 173.98 6.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.276 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -80.24 167.13 20.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.267 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -71.48 142.31 86.4 Favored Pre-proline 0 CA--C 1.538 0.485 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.813 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -40.78 -44.71 4.78 Favored 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 122.23 1.953 . . . . 0.0 112.383 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -69.34 -45.57 69.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.301 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.2 mm -48.83 -37.78 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.939 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -74.97 -61.03 2.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.884 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.38 -24.31 11.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.638 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.3 p -73.69 -50.69 19.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.547 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.62 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 1.3 t-20 -65.17 -42.95 93.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.523 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -96.2 35.11 1.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.61 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.42 ' O ' ' O ' ' A' ' 24' ' ' ASN . 52.2 t30 -72.44 0.67 9.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.624 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.654 HD22 ' NH1' ' A' ' 128' ' ' ARG . 3.1 m120 58.72 118.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.627 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.9 99.87 0.51 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.448 ' C ' HD12 ' A' ' 26' ' ' ILE . 1.2 pp -142.42 -174.95 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.673 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -161.27 43.55 0.4 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.66 153.56 51.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.728 0.299 . . . . 0.0 110.518 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.673 ' H ' ' CD2' ' A' ' 29' ' ' HIS . 0.0 OUTLIER -90.62 97.23 11.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.609 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.7 tptm -170.6 44.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.403 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.732 HG22 ' CD2' ' A' ' 98' ' ' TRP . 2.6 p -46.92 162.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.046 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.62 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.4 OUTLIER -125.14 143.34 50.98 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.661 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.585 HD23 ' N ' ' A' ' 34' ' ' CYS . 3.4 tt -135.58 114.66 12.25 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.502 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.585 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -106.95 120.02 40.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.322 179.695 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.466 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 42.1 p90 -108.69 138.23 45.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.949 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -132.05 129.23 39.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.18 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.738 HG11 ' CE1' ' A' ' 51' ' ' HIS . 18.2 t -96.74 130.11 45.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.953 0.406 . . . . 0.0 111.336 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.427 ' OE1' ' OG1' ' A' ' 93' ' ' THR . 2.3 mt-10 -130.52 125.1 33.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.011 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -95.66 138.4 33.38 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.645 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.47 135.5 57.45 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.326 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -148.9 98.72 2.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.533 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 55.36 42.38 30.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.488 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.87 0.13 67.98 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.4 m -109.54 127.26 54.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.811 0.339 . . . . 0.0 110.563 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.411 ' O ' ' OG ' ' A' ' 45' ' ' SER . 4.5 p -89.13 109.37 20.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.504 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 67.7 t -97.56 126.48 50.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.539 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -87.04 137.94 31.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.727 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 44.6 mtm -98.14 151.77 20.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.505 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -84.98 -50.34 7.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.704 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.511 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -89.09 66.96 7.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.399 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.738 ' CE1' HG11 ' A' ' 37' ' ' VAL . 3.2 t-80 -172.16 -6.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.437 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.416 ' H ' ' H ' ' A' ' 51' ' ' HIS . 27.6 ptt180 -106.87 170.95 7.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.679 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.466 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . 179.45 -162.5 29.26 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -156.09 161.09 40.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.728 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mt -141.48 178.51 7.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.466 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.94 139.23 43.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.479 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.4 t30 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.654 -179.893 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.628 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.76 0.314 . . . . 0.0 110.49 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.467 ' HB1' ' HB2' ' A' ' 33' ' ' LEU . . . -41.73 -47.08 3.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.554 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.501 ' CD ' ' H ' ' A' ' 72' ' ' GLU . 27.6 mp0 -58.16 -43.28 87.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.71 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 76' ' ' LEU . 8.5 mp -64.2 -59.87 3.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.963 0.411 . . . . 0.0 110.538 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -44.7 -28.47 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.458 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -80.74 -35.89 32.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.65 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' LEU . 1.1 mm? -59.5 -22.27 61.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.138 0.494 . . . . 0.0 109.731 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.45 -16.03 60.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.204 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.687 HD23 ' OG ' ' A' ' 81' ' ' SER . 1.4 mt -94.12 -4.49 49.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.426 -179.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.532 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -59.74 -43.42 95.16 Favored Pre-proline 0 C--N 1.326 -0.422 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.284 -179.156 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 39.7 Cg_exo -57.02 -22.65 47.99 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.124 1.883 . . . . 0.0 111.848 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.687 ' OG ' HD23 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -79.07 -8.93 59.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.551 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.453 HD12 ' C ' ' A' ' 81' ' ' SER . 7.4 mp -103.32 -40.26 6.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.372 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 61.96 52.57 3.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.956 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 52.2 mt -70.44 101.82 2.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.22 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.516 ' O ' ' CE1' ' A' ' 119' ' ' HIS . 0.1 OUTLIER -87.57 161.26 45.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.603 -179.726 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -72.24 -20.69 24.32 Favored 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.658 2.239 . . . . 0.0 111.955 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.594 ' HB1' HE21 ' A' ' 88' ' ' GLN . . . -40.94 -75.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.499 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.594 HE21 ' HB1' ' A' ' 87' ' ' ALA . 20.1 mm-40 -99.41 175.12 5.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.318 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.552 HG23 ' O ' ' A' ' 119' ' ' HIS . 1.1 mt -100.92 155.15 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.907 0.384 . . . . 0.0 110.549 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 89' ' ' ILE . 71.0 m-85 -149.0 130.7 15.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.827 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.15 113.34 26.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.222 179.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.554 ' CG1' HD22 ' A' ' 122' ' ' LEU . 1.4 p -95.0 129.88 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.139 0.495 . . . . 0.0 110.146 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.427 ' OG1' ' OE1' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -100.84 119.61 38.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.966 -179.296 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -99.95 131.48 45.89 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.589 ' CZ ' ' SG ' ' A' ' 161' ' ' CYS . 52.8 m-85 -124.47 102.91 7.88 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.74 134.19 52.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.748 -178.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.643 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 0.3 OUTLIER -85.59 -22.91 27.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.751 178.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.732 ' CD2' HG22 ' A' ' 31' ' ' THR . 20.3 m95 -113.22 148.41 35.54 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.515 ' HB2' HG23 ' A' ' 129' ' ' ILE . 0.3 OUTLIER -67.48 165.81 26.67 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.469 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' A' ' 99' ' ' SER . 75.6 Cg_exo -42.44 170.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.528 0 C-N-CA 122.476 2.117 . . . . 0.0 112.186 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -116.78 -48.43 2.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.116 179.761 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.585 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.3 OUTLIER -157.61 111.87 2.62 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 178.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.482 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 10.0 t -39.65 -38.73 0.65 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.229 -179.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -84.9 -21.71 29.58 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.323 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.38 -63.0 1.59 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 91.8 m -78.57 -69.09 0.58 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.702 0.287 . . . . 0.0 111.045 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -56.36 -30.36 62.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.721 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.96 -60.24 7.52 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -52.69 -38.26 60.3 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.113 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.8 t -67.6 -46.15 83.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.206 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -51.09 -58.53 5.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.276 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.67 -51.37 21.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.472 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.529 ' O ' ' N ' ' A' ' 117' ' ' ASN . 5.1 t80 -50.19 -61.1 2.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.653 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.2 mt -50.71 -58.36 6.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.556 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -46.73 -22.78 0.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.463 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -110.31 -12.2 14.46 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.697 ' O ' HG22 ' A' ' 120' ' ' VAL . 32.0 m120 -139.59 44.77 1.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.329 . . . . 0.0 111.072 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -4.28 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.992 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.552 ' O ' HG23 ' A' ' 89' ' ' ILE . 5.9 p80 -77.15 14.43 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 0.0 110.797 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' ' 117' ' ' ASN . 21.8 m -140.54 155.26 22.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.56 148.41 25.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.429 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.554 HD22 ' CG1' ' A' ' 92' ' ' VAL . 0.2 OUTLIER -125.37 112.29 16.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.42 -179.624 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.483 ' N ' HD13 ' A' ' 122' ' ' LEU . 8.2 mtt180 -116.21 118.52 33.02 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.465 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 25.4 mt -106.52 136.22 42.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.252 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -128.64 100.6 5.8 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.572 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -79.05 108.07 12.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.333 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.643 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -81.0 -47.21 13.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.654 ' NH1' HD22 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -130.69 153.39 49.02 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.854 -0.339 . . . . 0.0 110.668 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.515 HG23 ' HB2' ' A' ' 99' ' ' SER . 10.9 mt -120.44 109.09 24.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.53 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.427 ' O ' ' O ' ' A' ' 131' ' ' ASP . 32.9 m-85 -152.49 26.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.576 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 130' ' ' TYR . 11.5 t70 -51.58 -173.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.613 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -93.92 -65.8 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.656 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.467 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.2 OUTLIER -98.5 160.2 28.64 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.517 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -70.56 27.73 0.2 Allowed 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 122.569 2.179 . . . . 0.0 112.282 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.467 ' H ' ' C ' ' A' ' 133' ' ' ASP . 0.7 OUTLIER -67.39 -14.82 63.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.576 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.658 ' OH ' HD12 ' A' ' 193' ' ' ILE . 2.2 p90 -54.46 -26.69 32.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.555 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -69.2 -62.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.584 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -50.92 -38.64 51.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.512 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.91 -39.71 92.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.571 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.18 -53.21 60.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.522 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -65.66 -50.68 64.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.609 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.477 ' CB ' ' OG ' ' A' ' 103' ' ' SER . 1.0 OUTLIER -50.1 -61.83 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.609 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 146' ' ' ALA . 3.5 tp -50.19 -55.71 14.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.534 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -45.84 -33.12 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.645 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.52 -21.38 32.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.565 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -78.09 -19.75 53.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.541 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 87.42 72.07 1.29 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -146.46 173.0 12.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 110.581 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.27 124.19 47.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.548 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.682 ' O ' HG13 ' A' ' 150' ' ' VAL . 12.1 p -132.09 111.71 18.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.47 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 57.1 m -146.28 162.31 38.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.679 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 3.2 mm -84.31 129.93 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.491 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -41.22 133.26 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.647 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 21.0 p -106.46 174.91 5.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.552 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.439 ' HB2' HD23 ' A' ' 179' ' ' LEU . 2.6 t80 -65.34 -57.3 8.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.586 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.36 -38.25 18.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -69.32 -42.66 75.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -51.65 -40.4 59.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.762 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -67.93 -56.41 9.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.771 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . 0.419 ' O ' ' OD1' ' A' ' 163' ' ' ASP . 0.1 OUTLIER -53.84 -46.46 71.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.671 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.589 ' SG ' ' CZ ' ' A' ' 95' ' ' PHE . 1.3 m -68.7 -44.59 73.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.795 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' TRP . . . . . 0.642 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 3.1 t-105 -43.85 -69.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.801 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . 0.642 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.2 OUTLIER -60.72 -54.6 43.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.26 -179.333 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 93.7 m -46.29 -22.38 0.24 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.479 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -121.51 19.63 11.22 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.526 ' C ' ' H ' ' A' ' 168' ' ' HIS . 49.4 t -141.6 152.31 19.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.045 0.45 . . . . 0.0 111.621 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . 0.403 ' N ' ' CG1' ' A' ' 166' ' ' VAL . 8.7 m-20 -74.52 36.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.617 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.59 ' CD2' ' H ' ' A' ' 169' ' ' GLN . 9.1 p-80 -38.6 -46.94 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.297 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . 0.59 ' H ' ' CD2' ' A' ' 168' ' ' HIS . 46.7 mt-30 38.25 24.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.327 -0.852 . . . . 0.0 110.612 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 168' ' ' HIS . . . 129.68 2.9 5.19 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 168' ' ' HIS . 0.1 OUTLIER -102.69 105.08 42.67 Favored Pre-proline 0 CA--C 1.537 0.443 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -78.97 153.24 25.2 Favored 'Trans proline' 0 N--CA 1.487 1.133 0 C-N-CA 121.684 1.589 . . . . 0.0 112.106 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -51.54 147.06 6.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.526 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -113.17 88.87 13.11 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.794 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -78.67 131.07 10.1 Favored 'Trans proline' 0 C--N 1.315 -1.226 0 C-N-CA 122.088 1.859 . . . . 0.0 112.03 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 8.0 p90 -78.78 -179.51 6.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.385 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -96.26 86.23 4.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 160.65 38.26 0.02 OUTLIER Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . 0.439 HD23 ' HB2' ' A' ' 155' ' ' TYR . 2.9 mp -76.68 -50.12 14.45 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.905 -179.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 27.3 p-10 -59.7 -23.28 63.01 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.158 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -73.96 -61.99 1.66 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.16 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 182' ' ' HIS . . . . . 0.614 ' ND1' ' N ' ' A' ' 183' ' ' SER . 1.5 p80 -69.92 -42.29 73.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.919 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . 0.614 ' N ' ' ND1' ' A' ' 182' ' ' HIS . 59.8 p -57.48 -52.31 65.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.561 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -59.2 -35.77 74.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.562 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -53.37 -56.8 13.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 18.0 mt -67.15 -52.49 40.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.568 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.17 -33.18 18.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.523 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -67.32 -53.8 23.54 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 189' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 0.1 OUTLIER -45.66 -52.21 11.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 110.584 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 192' ' ' ALA . 1.1 mp -61.72 -59.99 4.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.499 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 30.1 ttt85 -45.51 -16.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.639 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 192' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 190' ' ' LEU . . . -88.2 -43.43 11.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.759 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . 0.658 HD12 ' OH ' ' A' ' 136' ' ' TYR . 4.3 tt -75.14 -26.57 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.669 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.703 -179.772 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.916 0.388 . . . . 0.0 110.463 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.517 ' CD1' ' N ' ' A' ' 12' ' ' LEU . 6.0 mp -94.71 173.03 7.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.022 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 31.2 mtm -64.09 137.24 57.88 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.45 147.12 77.67 Favored Pre-proline 0 C--N 1.327 -0.386 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.44 -179.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.43 ' O ' ' OG1' ' A' ' 19' ' ' THR . 71.7 Cg_exo -39.94 -44.85 3.75 Favored 'Trans proline' 0 N--CA 1.489 1.23 0 C-N-CA 122.244 1.963 . . . . 0.0 112.096 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -72.44 -50.14 28.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.098 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.9 mm -48.69 -40.73 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.592 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 28.5 t80 -66.6 -57.07 7.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.425 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -51.71 -59.21 4.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.496 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t -54.1 -26.96 30.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.48 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.523 ' OD1' ' CD1' ' A' ' 32' ' ' TYR . 8.4 t30 -86.43 -9.66 55.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.54 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.521 ' O ' ' NH2' ' A' ' 128' ' ' ARG . 19.1 m-85 -133.43 18.74 3.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.507 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.61 ' H ' HD22 ' A' ' 23' ' ' ASN . 0.2 OUTLIER -66.3 119.25 11.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.504 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -58.8 157.1 10.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.57 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.4 92.93 0.02 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 pt -135.09 -170.23 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.753 0.311 . . . . 0.0 110.583 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.61 -23.2 0.02 OUTLIER Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -170.07 120.06 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.322 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.518 ' CG ' ' N ' ' A' ' 30' ' ' LYS . 16.7 t60 -157.61 -88.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.565 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.518 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 7.9 mtpt 179.81 121.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.44 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.5 p -58.0 120.92 9.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.777 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.523 ' CD1' ' OD1' ' A' ' 21' ' ' ASN . 1.0 OUTLIER -106.46 141.54 37.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.516 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 tt -136.26 123.16 21.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.69 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.18 110.35 20.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.056 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.625 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 11.0 p90 -101.39 142.59 32.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -129.17 160.72 32.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.892 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.646 HG21 ' CE1' ' A' ' 51' ' ' HIS . 48.5 t -132.36 127.26 56.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.373 . . . . 0.0 110.851 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -140.13 152.44 46.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.332 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.91 139.45 35.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.61 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.55 122.4 44.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.573 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.32 114.63 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.47 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.479 ' C ' ' H ' ' A' ' 44' ' ' THR . 3.2 t-20 58.25 39.66 25.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.493 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.73 -24.97 1.18 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.479 ' H ' ' C ' ' A' ' 42' ' ' ASN . 57.5 m -71.62 120.25 16.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 110.63 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.74 119.84 37.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.577 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.5 t -100.04 99.17 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.571 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.8 tttm -72.22 137.59 46.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.575 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -96.08 149.61 21.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.634 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.02 -50.24 4.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.49 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -98.82 73.07 1.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.346 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.837 ' HE2' HD22 ' A' ' 82' ' ' LEU . 43.5 t-80 -172.1 -1.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.451 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.409 ' H ' ' H ' ' A' ' 51' ' ' HIS . 30.7 ptt180 -103.05 170.94 7.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.41 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -175.01 172.94 45.94 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -141.93 136.9 30.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.812 0.339 . . . . 0.0 110.616 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mp -137.12 177.83 7.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.568 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.503 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 1.3 p80 -138.61 166.0 25.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.326 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.625 179.927 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 t60 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.81 0.338 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.89 -50.45 56.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.44 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -42.39 -46.28 4.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.652 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.94 -60.13 3.4 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.463 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -49.37 -24.77 2.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.08 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.625 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 2.2 t80 -84.42 -46.48 11.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.432 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -43.1 -36.92 1.81 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.432 -179.806 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.02 -16.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.101 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' A' ' 76' ' ' LEU . 2.4 mm? -66.97 -47.52 71.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.323 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.0 t -44.42 -58.73 4.7 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-O 119.316 -0.373 . . . . 0.0 111.936 -178.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -35.25 -39.78 0.25 Allowed 'Trans proline' 0 N--CA 1.489 1.232 0 C-N-CA 122.112 1.875 . . . . 0.0 112.502 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.7 t -76.34 -50.09 15.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.837 HD22 ' HE2' ' A' ' 51' ' ' HIS . 27.5 mt -65.33 -56.51 12.23 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.368 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 58.78 52.44 6.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.002 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.3 mt -50.37 145.73 6.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.289 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.57 160.14 27.2 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.605 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -70.41 -9.8 26.66 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.617 2.211 . . . . 0.0 112.024 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.61 -80.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.6 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.524 HE21 ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -100.89 164.55 11.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.552 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -84.92 162.37 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.538 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.644 ' HB2' HG12 ' A' ' 120' ' ' VAL . 34.8 m-85 -139.64 167.26 22.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.493 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -138.55 110.6 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.524 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.435 ' HB ' HD22 ' A' ' 122' ' ' LEU . 3.0 t -95.12 123.58 47.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.234 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.64 114.13 28.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 -179.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 23.1 m0 -100.4 133.28 45.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.243 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.59 ' CD1' ' SG ' ' A' ' 161' ' ' CYS . 48.4 m-85 -129.17 103.38 6.93 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.26 146.9 15.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.914 -178.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.663 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 22.2 p -96.89 -28.78 14.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.714 179.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -111.74 143.75 42.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.381 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.72 159.6 67.55 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.438 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.5 150.54 46.17 Favored 'Trans proline' 0 N--CA 1.494 1.554 0 C-N-CA 122.597 2.198 . . . . 0.0 112.406 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.647 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 1.8 p -83.58 -150.38 0.1 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.647 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.2 OUTLIER -34.16 104.92 0.03 OUTLIER 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.167 0.508 . . . . 0.0 110.138 179.381 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.893 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 11.5 p -37.54 -23.89 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.194 -179.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.547 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.2 OUTLIER -80.51 -31.89 37.05 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.853 -179.014 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -71.25 -63.81 2.98 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.773 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.22 -69.39 0.58 Allowed 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.165 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.893 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -45.61 -43.11 12.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.795 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.88 -55.63 28.68 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -50.05 -42.23 49.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.807 0.337 . . . . 0.0 110.799 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 42.7 t -69.65 -52.78 28.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.801 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -41.66 -58.57 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.602 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.16 -52.99 59.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.58 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -46.14 -39.74 9.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.507 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.471 ' C ' ' N ' ' A' ' 116' ' ' GLU . 1.0 OUTLIER -72.15 -57.1 4.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.437 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -46.87 -15.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.624 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.471 ' N ' ' C ' ' A' ' 114' ' ' LEU . 0.3 OUTLIER -108.68 -45.73 3.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.963 -179.841 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.818 ' O ' HG22 ' A' ' 120' ' ' VAL . 6.4 m120 -115.02 49.28 1.06 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.74 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.6 t -60.5 -0.22 0.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.82 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.486 ' H ' ' C ' ' A' ' 117' ' ' ASN . 8.9 p80 -79.62 13.62 1.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.846 0.355 . . . . 0.0 110.527 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.818 HG22 ' O ' ' A' ' 117' ' ' ASN . 34.8 m -134.92 145.88 31.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.542 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -91.51 148.32 22.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.32 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.497 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -131.76 112.4 12.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.501 -179.794 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.497 ' N ' HD13 ' A' ' 122' ' ' LEU . 65.9 mtp180 -115.07 117.74 31.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.199 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 5.7 mt -105.77 127.71 60.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.044 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.491 ' CD2' ' CE1' ' A' ' 95' ' ' PHE . 75.2 m-85 -119.9 98.06 5.91 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.528 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -78.93 106.2 10.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.332 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.663 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -77.48 -40.84 41.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.556 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.521 ' NH2' ' O ' ' A' ' 22' ' ' PHE . 4.1 tpp180 -136.43 143.05 43.7 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.562 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.518 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 1.1 mt -102.95 118.95 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.609 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 13.3 m-85 -162.38 117.64 1.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 29.6 p30 -151.25 -163.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.437 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -92.28 -63.11 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.585 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.482 ' C ' ' H ' ' A' ' 135' ' ' LEU . 1.1 m-20 -108.5 157.74 35.75 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.318 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -69.87 29.32 0.18 Allowed 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.395 2.063 . . . . 0.0 112.152 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.482 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.9 mt -66.49 -14.68 62.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.778 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 136' ' ' TYR . 2.2 p90 -48.76 -30.05 5.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.6 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 14.2 ttpp -62.45 -58.3 8.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.486 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -49.36 -36.29 21.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.499 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.29 -51.76 67.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.549 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -50.76 -40.11 54.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.456 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -60.15 -60.47 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.66 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -53.25 -52.48 58.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.601 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.536 HD12 ' HB3' ' A' ' 148' ' ' ALA . 0.8 OUTLIER -42.23 -58.13 2.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.394 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.7 ttm105 -52.33 -36.53 53.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.539 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.51 -11.77 61.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.569 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -93.08 -23.88 18.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.531 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 87.5 31.79 15.23 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.536 ' HB3' HD12 ' A' ' 143' ' ' LEU . . . -101.04 175.92 5.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.542 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -104.22 128.14 51.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.547 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 3.2 m -132.2 114.59 24.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.518 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 7.3 m -152.22 162.02 41.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.619 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 2.3 mt -84.48 130.03 36.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.507 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.586 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 8.6 ttt -45.88 123.57 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.535 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 12.6 p -102.26 176.28 5.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.69 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.414 ' HB2' HD13 ' A' ' 179' ' ' LEU . 5.9 t80 -59.16 -58.18 9.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.586 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.89 -57.56 2.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.5 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . 0.448 ' OE2' ' CE1' ' A' ' 125' ' ' PHE . 22.2 mt-10 -51.23 -56.61 12.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.713 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.586 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 1.1 m-85 -41.55 -43.5 2.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.69 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . 0.431 ' O ' ' OD2' ' A' ' 163' ' ' ASP . 9.1 ttpp -59.98 -46.23 90.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.582 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . 0.618 ' CD2' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -68.88 -57.53 5.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.525 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.618 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 1.5 m -55.26 -23.96 25.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' TRP . . . . . 0.628 ' CE3' HG21 ' A' ' 166' ' ' VAL . 4.5 t-105 -70.41 -70.02 0.32 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.719 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . 0.621 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.5 OUTLIER -60.91 -14.41 22.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.262 -179.612 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 41.2 m -86.81 -28.3 23.02 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.368 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -119.56 16.83 12.89 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.304 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.628 HG21 ' CE3' ' A' ' 162' ' ' TRP . 96.8 t -130.89 142.67 43.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.807 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . 0.493 ' C ' ' H ' ' A' ' 169' ' ' GLN . 7.6 p-10 -79.16 36.98 0.3 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.629 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -49.92 -10.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.579 -179.722 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . 0.493 ' H ' ' C ' ' A' ' 167' ' ' ASP . 7.9 mm-40 52.73 7.97 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.444 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . 0.629 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 121.35 32.1 1.09 Allowed Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . 0.602 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.0 OUTLIER -111.31 148.87 39.66 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 116.703 0.251 . . . . 0.0 110.365 179.714 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -77.35 172.44 15.96 Favored 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 122.363 2.042 . . . . 0.0 112.551 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -84.87 150.52 24.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.431 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -108.91 96.01 19.04 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.689 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -80.41 148.98 18.85 Favored 'Trans proline' 0 N--CA 1.488 1.197 0 C-N-CA 122.101 1.867 . . . . 0.0 112.204 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 16.1 p90 -82.08 155.1 25.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.56 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.43 101.69 4.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.6 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 143.11 -8.76 2.2 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . 0.577 ' O ' HD23 ' A' ' 179' ' ' LEU . 1.1 tt -41.77 -45.15 3.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.778 0.323 . . . . 0.0 110.542 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.58 -60.75 2.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.563 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 184' ' ' GLN . 67.1 mt-10 -56.76 -61.41 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.62 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -42.34 -49.45 5.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 9.5 t -56.33 -37.62 70.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.575 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 181' ' ' GLU . 0.0 OUTLIER -64.03 -32.19 73.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.61 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -73.97 -57.71 3.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.619 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . 0.527 HD22 ' N ' ' A' ' 186' ' ' LEU . 4.0 mm? -61.46 -52.22 65.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.393 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 30.7 t -51.27 -46.91 62.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.313 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -56.81 -35.34 67.57 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -59.78 -53.13 61.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.809 0.338 . . . . 0.0 110.396 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.0 tp -72.09 -22.93 61.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.652 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -76.35 -23.76 54.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.516 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -82.1 -48.04 11.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.611 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 2.5 tt -68.55 -28.04 38.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.683 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.9 tp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.608 179.986 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.833 ' C ' HD23 ' A' ' 12' ' ' LEU . 3.0 m170 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 121.516 0.674 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.868 HD12 ' O ' ' A' ' 166' ' ' VAL . 0.0 OUTLIER -113.34 175.06 5.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.708 -1.133 . . . . 0.0 109.835 -178.835 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.591 ' SD ' ' CE2' ' A' ' 54' ' ' PHE . 2.7 mpp? -60.48 167.52 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.37 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.44 153.15 50.57 Favored Pre-proline 0 CA--C 1.534 0.346 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.933 -179.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.422 ' O ' ' OG1' ' A' ' 19' ' ' THR . 72.1 Cg_exo -41.07 -56.01 1.87 Allowed 'Trans proline' 0 N--CA 1.49 1.322 0 C-N-CA 122.541 2.161 . . . . 0.0 112.507 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.512 ' CE1' ' OG ' ' A' ' 20' ' ' SER . 33.7 t60 -59.97 -51.62 68.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.975 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.2 mm -48.77 -37.49 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.63 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -74.87 -60.83 2.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.785 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.2 OUTLIER -50.31 -60.0 3.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.596 -179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.512 ' OG ' ' CE1' ' A' ' 16' ' ' HIS . 6.7 m -51.9 -43.05 63.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.579 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.654 HD21 ' CB ' ' A' ' 32' ' ' TYR . 11.3 t30 -62.52 -39.91 95.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.685 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -100.08 23.58 9.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.615 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -56.77 101.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.553 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.86 150.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.546 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.63 99.54 0.01 OUTLIER Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.462 ' CD1' ' HE1' ' A' ' 98' ' ' TRP . 4.4 pt -136.55 -173.14 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.717 0.294 . . . . 0.0 110.62 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -151.27 -43.03 0.02 OUTLIER Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -172.05 127.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 110.437 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -163.55 -72.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.49 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.69 90.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.305 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.465 ' CG2' ' ND2' ' A' ' 57' ' ' ASN . 3.5 t -46.66 150.93 0.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.949 0.404 . . . . 0.0 111.303 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.654 ' CB ' HD21 ' A' ' 21' ' ' ASN . 0.2 OUTLIER -114.79 147.34 39.92 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.472 179.808 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.9 tp -135.4 107.57 7.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.161 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.37 115.71 31.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.348 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.518 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 34.9 p90 -106.36 137.04 45.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -123.92 129.42 50.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.22 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.747 HG11 ' CE1' ' A' ' 51' ' ' HIS . 11.5 t -100.07 126.01 53.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.965 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.11 154.21 45.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.279 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -121.45 142.0 50.46 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.528 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.55 HD22 ' N ' ' A' ' 40' ' ' LEU . 3.8 mm? -78.89 143.71 35.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.549 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.85 101.1 2.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.486 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.7 t30 57.62 30.13 18.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.403 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.69 0.48 81.66 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.54 121.52 42.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.78 0.324 . . . . 0.0 110.623 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.426 ' O ' ' OG ' ' A' ' 45' ' ' SER . 1.2 p -89.3 110.69 21.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.55 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.4 p -101.83 134.07 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.586 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -94.75 140.71 29.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.622 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.5 mtm -103.14 143.44 32.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.45 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -84.38 -50.62 7.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.758 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.82 66.07 9.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.011 0.434 . . . . 0.0 110.234 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.747 ' CE1' HG11 ' A' ' 37' ' ' VAL . 17.8 t-80 -173.15 -8.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.405 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.7 ptt85 -100.93 170.79 8.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.502 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.413 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . -176.65 -179.65 47.18 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.591 ' CE2' ' SD ' ' A' ' 13' ' ' MET . 3.8 p90 -146.74 141.93 27.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.751 0.31 . . . . 0.0 110.55 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 mt -128.87 174.95 9.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.607 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.469 ' ND1' ' N ' ' A' ' 56' ' ' HIS . 1.4 p-80 -137.15 157.8 45.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.432 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.683 HD21 ' CD2' ' A' ' 70' ' ' HIS . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.773 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.683 ' CD2' HD21 ' A' ' 57' ' ' ASN . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.845 0.355 . . . . 0.0 110.538 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.574 ' H ' ' ND2' ' A' ' 57' ' ' ASN . . . -52.0 -29.18 19.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.483 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -51.38 -50.83 58.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.646 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.38 -46.26 89.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.712 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.4 mmt-85 -59.09 -27.45 65.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.584 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.518 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 29.3 t80 -78.31 -47.47 17.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.532 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 tp -68.27 -19.69 64.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.722 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.13 -25.11 67.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.503 -179.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.666 ' C ' HD12 ' A' ' 78' ' ' LEU . 3.4 pp -114.25 3.41 15.11 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.618 0.247 . . . . 0.0 111.16 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.445 ' N ' HD12 ' A' ' 78' ' ' LEU . 1.4 t -56.57 -47.94 98.05 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.357 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 38.0 Cg_endo -72.82 -17.04 26.0 Favored 'Trans proline' 0 N--CA 1.489 1.24 0 C-N-CA 121.434 1.423 . . . . 0.0 111.884 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.9 -14.72 60.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.402 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.505 HD22 ' NE2' ' A' ' 51' ' ' HIS . 12.6 mt -78.83 -20.88 48.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.442 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.425 ' CB ' ' O ' ' A' ' 82' ' ' LEU . 3.7 tt0 77.55 36.04 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.0 mt -67.06 153.16 44.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.437 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.22 161.6 60.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.55 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -71.39 -12.93 30.24 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.533 2.155 . . . . 0.0 112.302 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.27 -79.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.518 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.578 HE21 ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -94.0 158.99 15.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.305 179.725 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 90' ' ' TYR . 3.4 mm -89.75 156.89 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.559 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.486 ' N ' HG22 ' A' ' 89' ' ' ILE . 78.2 m-85 -139.07 152.05 47.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.772 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -117.97 102.82 9.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.205 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 41.0 t -94.86 119.34 42.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.521 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.3 m -106.13 121.44 44.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.636 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.453 ' CD2' HD11 ' A' ' 122' ' ' LEU . 32.8 m0 -100.32 132.69 45.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.03 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -119.03 102.69 8.93 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.426 HD11 HG23 ' A' ' 124' ' ' ILE . 0.0 OUTLIER -110.8 140.1 31.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.81 -178.053 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.619 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 9.0 p -90.88 -27.4 18.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.926 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.462 ' HE1' ' CD1' ' A' ' 26' ' ' ILE . 8.5 m95 -111.59 153.54 26.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.35 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.84 162.41 74.24 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.258 179.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -68.83 162.99 39.09 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.548 2.165 . . . . 0.0 112.258 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 6.4 p -106.31 -106.98 0.31 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.41 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.51 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -74.09 107.03 6.04 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.366 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 108' ' ' GLY . 13.9 m -43.88 -25.05 0.17 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.885 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -84.64 -22.92 29.73 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.358 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.55 -62.74 1.6 Allowed Glycine 0 CA--C 1.528 0.877 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.9 m -78.36 -69.8 0.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.648 0.261 . . . . 0.0 111.47 -179.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.32 -30.82 69.75 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.52 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -64.33 -45.79 92.45 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 179.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -66.66 -22.29 66.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.864 0.364 . . . . 0.0 110.106 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.407 HG13 ' HG ' ' A' ' 122' ' ' LEU . 59.8 t -83.19 -63.33 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.025 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.41 ' HE ' ' HA2' ' A' ' 108' ' ' GLY . 0.2 OUTLIER -52.8 -29.96 30.52 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.39 -179.727 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -72.21 -58.73 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.981 0.42 . . . . 0.0 110.07 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.401 ' CZ ' HG11 ' A' ' 79' ' ' VAL . 16.5 t80 -45.92 -24.0 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.969 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.433 ' C ' ' N ' ' A' ' 116' ' ' GLU . 5.0 mp -76.77 -57.03 4.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.183 179.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -46.94 -19.99 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.068 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.433 ' N ' ' C ' ' A' ' 114' ' ' LEU . 2.8 mt-10 -104.72 -45.9 4.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.035 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.664 ' O ' HG22 ' A' ' 120' ' ' VAL . 7.9 m120 -120.76 55.13 1.04 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.761 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.87 1.16 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.805 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.48 ' CE1' ' CG1' ' A' ' 120' ' ' VAL . 8.2 p80 -80.3 11.14 3.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.613 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 117' ' ' ASN . 17.2 m -131.9 143.08 41.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.562 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -92.61 148.65 21.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.258 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.453 HD11 ' CD2' ' A' ' 94' ' ' TRP . 0.1 OUTLIER -132.53 112.53 12.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.637 -179.81 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 30.6 mtm180 -110.58 125.43 53.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.081 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.426 HG23 HD11 ' A' ' 96' ' ' ILE . 35.2 mm -105.29 117.43 50.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.147 -179.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.519 ' CD1' ' OE1' ' A' ' 157' ' ' GLU . 70.5 m-85 -116.78 98.02 6.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.122 179.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -83.18 107.48 15.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.492 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.619 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -76.29 -39.37 54.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.405 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -139.89 146.77 39.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.351 179.759 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.518 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 0.9 OUTLIER -104.03 130.44 54.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.907 0.384 . . . . 0.0 110.695 -179.723 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 4.6 m-85 -172.13 122.09 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.461 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -149.96 -173.93 4.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.561 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -106.53 -19.55 13.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.587 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.11 162.34 48.53 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.464 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.502 ' O ' ' N ' ' A' ' 136' ' ' TYR . 41.0 Cg_endo -70.02 -7.12 20.36 Favored 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.625 2.217 . . . . 0.0 112.204 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.2 mt -42.97 -19.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.647 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.525 ' CD1' ' N ' ' A' ' 137' ' ' LYS . 0.0 OUTLIER -54.16 -38.97 66.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.615 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.525 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 30.9 tttp -58.85 -57.73 11.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.436 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -48.34 -32.63 7.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.366 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 136' ' ' TYR . . . -62.52 -52.09 64.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.391 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.5 mp -51.77 -36.7 48.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.403 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.491 ' OE1' ' NH1' ' A' ' 144' ' ' ARG . 49.1 mm-40 -78.59 -36.14 44.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.535 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.482 ' SD ' ' O ' ' A' ' 103' ' ' SER . 0.7 OUTLIER -70.68 -22.69 62.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.573 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 9.2 mt -81.3 -60.81 2.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.767 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.491 ' NH1' ' OE1' ' A' ' 141' ' ' GLN . 0.7 OUTLIER -56.06 -28.06 55.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.693 -179.879 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.78 -37.18 81.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.612 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.76 -19.43 52.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 104.04 13.12 27.96 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -78.49 155.15 29.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.759 0.314 . . . . 0.0 110.611 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -87.45 131.08 34.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.538 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 21.8 t -131.39 116.61 32.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.605 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -153.38 159.75 42.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.57 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 152' ' ' ILE . 1.9 tp -90.38 132.57 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.475 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.542 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 6.4 ttt -49.1 121.24 4.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.52 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 81.3 p -99.98 172.65 7.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -58.21 -43.1 87.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.639 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -47.23 81.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.481 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . 0.519 ' OE1' ' CD1' ' A' ' 125' ' ' PHE . 35.8 mt-10 -63.15 -31.19 72.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.727 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.542 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 1.4 m-85 -65.58 -47.32 76.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.543 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -55.59 -49.77 71.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.575 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . 0.593 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -68.45 -57.39 5.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.611 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.593 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 12.3 t -53.76 -23.69 12.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' TRP . . . . . 0.622 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.2 t-105 -72.9 -69.16 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.042 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . 0.622 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -63.68 -14.28 50.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 -179.466 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 96.9 m -85.68 -24.11 27.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.311 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -121.05 10.83 10.84 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.264 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.868 ' O ' HD12 ' A' ' 12' ' ' LEU . 89.9 t -129.32 132.61 66.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.98 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -69.63 37.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.946 0.403 . . . . 0.0 110.42 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.549 ' H ' ' C ' ' A' ' 166' ' ' VAL . 5.7 p-80 -44.24 -45.63 8.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.109 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . 0.481 ' N ' ' CG ' ' A' ' 168' ' ' HIS . 97.1 mt-30 40.51 31.7 0.12 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 132.71 14.78 1.46 Allowed Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . 0.457 ' H ' ' HB2' ' A' ' 168' ' ' HIS . 4.6 m -123.78 80.9 55.69 Favored Pre-proline 0 CA--C 1.53 0.175 0 CA-C-O 120.739 0.304 . . . . 0.0 110.46 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -51.32 162.63 1.27 Allowed 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.551 2.167 . . . . 0.0 112.25 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -57.4 150.33 18.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.597 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -113.62 85.08 8.76 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.647 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -78.27 131.22 10.59 Favored 'Trans proline' 0 N--CA 1.488 1.202 0 C-N-CA 122.084 1.856 . . . . 0.0 112.091 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' TRP . . . . . 0.545 ' NE1' ' CD1' ' A' ' 179' ' ' LEU . 15.1 p90 -98.64 159.0 15.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.529 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.68 109.5 2.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.546 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 145.03 -18.18 1.95 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . 0.545 ' CD1' ' NE1' ' A' ' 176' ' ' TRP . 1.8 mp -52.27 -38.12 57.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.783 0.325 . . . . 0.0 110.535 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.09 -46.65 80.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.634 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -64.65 -45.95 84.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.592 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -61.09 -61.04 2.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.608 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 60.0 p -44.81 -37.56 3.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.652 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -61.23 -59.51 5.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.549 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -45.82 -53.11 10.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.549 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.01 -58.89 6.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.516 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 1.6 m -44.57 -44.02 8.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.58 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -55.68 -49.81 63.79 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -50.52 -49.92 54.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.754 0.311 . . . . 0.0 110.541 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.23 -46.66 89.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.583 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 2.6 ttm105 -61.12 -33.01 72.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.66 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -66.84 -37.18 83.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.596 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . 0.446 HD11 ' OH ' ' A' ' 136' ' ' TYR . 3.5 mm -66.57 -61.32 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.596 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 8.0 mp . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.635 -179.941 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.509 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 12.5 t-160 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.809 0.338 . . . . 0.0 110.579 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.842 HD22 ' N ' ' A' ' 12' ' ' LEU . 1.0 OUTLIER -108.76 173.47 6.3 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.136 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -73.92 164.48 26.58 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -76.56 143.96 72.94 Favored Pre-proline 0 CA--C 1.534 0.365 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.418 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -39.96 -55.51 1.72 Allowed 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.205 1.937 . . . . 0.0 112.237 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -49.42 77.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.041 -179.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 mm -48.84 -56.49 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.659 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.408 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 32.3 t80 -49.59 -60.13 3.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.706 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.52 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -57.06 -27.09 61.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.795 -179.83 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.58 -61.49 2.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.597 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.614 ' ND2' ' CD2' ' A' ' 22' ' ' PHE . 3.3 p-10 -70.75 -23.49 62.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.61 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.614 ' CD2' ' ND2' ' A' ' 21' ' ' ASN . 18.3 m-85 -100.44 13.19 35.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.541 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 19' ' ' THR . 44.7 t-20 -61.49 101.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.626 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -43.25 115.47 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.603 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.63 52.75 0.79 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.426 ' C ' HD12 ' A' ' 26' ' ' ILE . 1.1 pp -97.35 -175.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.707 0.289 . . . . 0.0 110.496 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.454 ' H ' ' NE ' ' A' ' 28' ' ' ARG . . . 167.43 53.76 0.03 OUTLIER Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.735 ' HE ' ' H ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -158.33 140.41 14.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.859 0.362 . . . . 0.0 110.644 179.758 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -49.93 98.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.761 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -178.61 22.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.077 0.465 . . . . 0.0 110.406 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.668 HG22 ' CD2' ' A' ' 98' ' ' TRP . 1.0 OUTLIER -46.63 162.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.784 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -125.93 149.3 48.84 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.686 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.716 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.6 tm? -140.34 122.97 16.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.122 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.35 121.08 40.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.828 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.547 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 17.5 p90 -112.92 134.52 54.39 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.038 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -122.15 158.14 30.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.093 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.676 HG21 ' CE1' ' A' ' 51' ' ' HIS . 54.9 t -128.7 121.41 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.652 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.461 ' OE2' ' N ' ' A' ' 38' ' ' GLU . 1.5 mp0 -131.34 127.93 38.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.729 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.36 132.32 35.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.404 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 mt -98.52 119.94 38.09 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.548 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.63 110.48 9.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.457 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.522 ' ND2' ' N ' ' A' ' 42' ' ' ASN . 0.5 OUTLIER 61.23 37.51 17.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.468 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.6 -1.07 68.02 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.15 102.3 14.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 110.523 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.429 ' O ' ' OG ' ' A' ' 45' ' ' SER . 11.9 p -83.13 103.37 12.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.557 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.1 m -96.68 119.18 44.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.516 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -76.83 138.13 39.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.488 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.9 mmt -79.46 158.65 27.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.667 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -93.55 -50.27 5.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.564 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -117.17 78.23 1.2 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.487 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.676 ' CE1' HG21 ' A' ' 37' ' ' VAL . 52.9 t-80 -169.93 30.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.687 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.512 ' C ' HH11 ' A' ' 52' ' ' ARG . 0.0 OUTLIER -131.57 170.77 14.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.318 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -169.32 -178.56 40.68 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 20.1 p90 -156.39 140.41 16.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.69 0.281 . . . . 0.0 110.402 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 mp -135.52 178.17 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.565 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.54 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.1 OUTLIER -127.15 156.18 42.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.467 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.44 ' N ' ' HB2' ' A' ' 71' ' ' ALA . 1.1 t30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.6 t60 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.74 0.305 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.44 ' HB2' ' N ' ' A' ' 57' ' ' ASN . . . -55.22 -34.56 64.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.234 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -60.04 -49.09 79.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.479 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.403 HD11 ' HG3' ' A' ' 109' ' ' GLU . 5.9 mp -49.59 -50.43 42.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.591 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -53.25 -43.56 67.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.512 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.547 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 10.3 t80 -65.49 -49.53 68.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.624 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.2 tp -64.05 -19.99 65.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.767 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.95 -32.47 59.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.025 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.654 ' C ' HD12 ' A' ' 78' ' ' LEU . 3.9 pp -101.44 8.04 42.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.759 0.314 . . . . 0.0 110.811 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.575 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -63.32 -41.64 69.59 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.008 -179.845 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 39.6 Cg_exo -57.66 -17.44 28.77 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.087 1.858 . . . . 0.0 111.932 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.42 -9.08 58.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.619 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.9 mt -89.75 -2.86 58.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.54 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 41.5 45.02 2.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.725 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.3 mt -41.46 155.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.628 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 87' ' ' ALA . 2.4 m-20 -117.17 84.96 17.91 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.457 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -51.3 -9.38 0.29 Allowed 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.464 2.11 . . . . 0.0 112.189 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.415 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -49.21 -35.46 17.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.375 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -125.04 -167.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.217 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.681 ' H ' HD12 ' A' ' 89' ' ' ILE . 0.2 OUTLIER -104.73 155.1 6.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.167 0.508 . . . . 0.0 110.5 179.779 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -140.47 179.32 6.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.79 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -143.98 109.65 5.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.498 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -92.44 106.07 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.011 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.36 115.69 26.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.655 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.449 ' CH2' HG22 ' A' ' 110' ' ' VAL . 13.7 m0 -100.19 132.19 45.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.21 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -124.91 102.65 7.64 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -108.05 131.25 58.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.651 -178.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.642 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 7.0 p -81.87 -26.04 34.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.767 178.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.668 ' CD2' HG22 ' A' ' 31' ' ' THR . 11.4 m95 -111.13 153.51 25.62 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.062 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.09 129.87 77.04 Favored Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.323 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -42.35 153.84 0.13 Allowed 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.899 1.733 . . . . 0.0 112.426 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.646 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 2.7 p -96.66 -147.89 0.3 Allowed 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.646 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.2 OUTLIER -33.38 106.01 0.04 OUTLIER 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.263 0.554 . . . . 0.0 110.215 179.545 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.899 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 47.9 m -37.48 -23.86 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.237 -179.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.545 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.1 OUTLIER -82.64 -30.94 29.04 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -178.826 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -71.9 -63.77 2.9 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 120.532 -0.842 . . . . 0.0 111.786 -179.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.31 -69.25 0.59 Allowed 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.751 -0.379 . . . . 0.0 111.071 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.899 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -45.88 -41.57 11.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.816 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.19 -60.01 9.05 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.403 ' HG3' HD11 ' A' ' 73' ' ' LEU . 36.4 mm-40 -50.91 -39.56 54.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.943 0.402 . . . . 0.0 110.25 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.449 HG22 ' CH2' ' A' ' 94' ' ' TRP . 38.7 t -66.71 -48.19 80.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.36 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 55.1 ttt85 -49.71 -52.63 29.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.359 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.08 -57.84 7.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.486 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -53.17 -34.82 58.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.63 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -69.83 -58.59 3.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.457 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -54.22 -14.18 1.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.598 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -100.25 -50.29 4.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.644 ' O ' HG22 ' A' ' 120' ' ' VAL . 85.7 m-20 -111.51 43.47 1.51 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.467 ' C ' ' H ' ' A' ' 120' ' ' VAL . 0.0 OUTLIER -49.86 -10.45 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.744 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.529 ' O ' ' ND1' ' A' ' 119' ' ' HIS . 12.0 p80 -76.11 19.66 0.22 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.902 0.382 . . . . 0.0 110.381 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.644 HG22 ' O ' ' A' ' 117' ' ' ASN . 4.9 m -135.75 144.72 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.464 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -91.59 123.32 34.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.447 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.523 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -102.93 115.04 29.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.571 -179.649 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.523 ' N ' HD13 ' A' ' 122' ' ' LEU . 12.1 mtp180 -117.79 118.36 31.84 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.293 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.64 HD12 HD21 ' A' ' 143' ' ' LEU . 18.6 mt -106.2 131.19 56.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.002 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.522 ' CE1' ' OE2' ' A' ' 157' ' ' GLU . 81.5 m-85 -127.03 104.78 8.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.611 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -84.17 107.72 16.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.372 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.642 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -77.56 -44.75 27.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.464 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.481 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -132.36 150.09 52.22 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.505 179.79 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.522 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 5.6 mt -112.29 118.73 58.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.694 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.522 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 8.7 m-85 -155.02 117.23 4.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.632 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.427 ' OD2' ' O ' ' A' ' 130' ' ' TYR . 0.3 OUTLIER -178.82 154.83 0.75 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.376 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -97.63 10.18 40.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.568 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.481 ' C ' ' H ' ' A' ' 135' ' ' LEU . 30.6 m-20 -122.79 80.04 49.18 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.552 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 136' ' ' TYR . 51.8 Cg_exo -49.3 -6.66 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.562 2.175 . . . . 0.0 112.433 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.481 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.9 mt -47.76 -13.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.468 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.472 ' N ' ' O ' ' A' ' 134' ' ' PRO . 0.1 OUTLIER -42.37 -26.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.613 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 135' ' ' LEU . 8.9 tttt -62.05 -62.21 1.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.469 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -53.49 -27.73 26.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.32 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.782 ' HB2' ' OG ' ' A' ' 103' ' ' SER . . . -69.66 -42.79 73.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.419 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.975 HD11 HD21 ' A' ' 190' ' ' LEU . 0.9 OUTLIER -58.82 -37.09 75.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.316 179.843 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -80.03 -56.69 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.557 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.9 ttp -54.36 -29.59 48.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.664 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.64 HD21 HD12 ' A' ' 124' ' ' ILE . 53.6 tp -81.9 -42.19 19.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.337 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.4 -30.74 41.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.5 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -76.64 2.72 13.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.572 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -99.57 -22.39 15.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 104.83 -1.18 41.71 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -83.1 134.08 35.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.71 0.291 . . . . 0.0 110.627 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -83.98 140.76 31.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.591 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 59.0 t -131.62 112.71 21.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.558 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.4 t -146.11 162.08 38.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.631 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.656 ' CD1' HD12 ' A' ' 190' ' ' LEU . 1.6 mp -79.78 133.81 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.498 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.583 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 6.4 ttm -50.36 102.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.52 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 26.2 p -73.72 160.68 31.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.538 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.497 ' CD1' ' O ' ' A' ' 155' ' ' TYR . 1.4 t80 -51.33 -36.93 45.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.578 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.22 -56.21 16.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.503 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . 0.522 ' OE2' ' CE1' ' A' ' 125' ' ' PHE . 2.1 mm-40 -57.15 -26.59 60.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.689 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.583 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 0.5 OUTLIER -64.58 -54.16 36.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.504 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -54.93 -42.62 72.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.687 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . 0.579 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -66.7 -56.61 9.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.687 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.579 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 3.1 t -57.32 -23.72 50.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.64 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' TRP . . . . . 0.619 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.1 t-105 -73.26 -69.23 0.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.832 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . 0.619 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 2.8 t70 -63.04 -14.24 45.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.419 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 60.6 m -84.86 -26.72 27.2 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.167 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -121.74 18.84 11.1 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.706 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.531 ' C ' ' H ' ' A' ' 168' ' ' HIS . 73.0 t -133.77 154.1 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 121.168 0.509 . . . . 0.0 111.549 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . 0.457 ' N ' HG12 ' A' ' 166' ' ' VAL . 0.4 OUTLIER -75.25 30.97 0.1 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.727 179.594 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.712 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -38.82 -53.71 1.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.13 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . 0.615 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 4.5 mm-40 42.53 14.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.668 179.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . 0.712 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 141.7 8.4 0.69 Allowed Glycine 0 CA--C 1.529 0.944 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.772 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . 0.622 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 1.7 m -117.5 84.29 18.47 Favored Pre-proline 0 CA--C 1.532 0.256 0 CA-C-N 116.713 0.256 . . . . 0.0 110.321 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -52.0 165.57 0.83 Allowed 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.486 2.124 . . . . 0.0 112.377 -179.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -65.12 141.49 58.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.309 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -115.57 85.1 13.17 Favored Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.966 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -50.11 154.88 5.02 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.189 1.926 . . . . 0.0 111.924 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' TRP . . . . . 0.42 ' O ' ' N ' ' A' ' 178' ' ' GLY . 1.0 OUTLIER -102.07 131.51 48.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.637 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -43.64 96.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.501 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 176' ' ' TRP . . . 140.68 -18.58 2.79 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -42.31 -50.09 5.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.757 0.313 . . . . 0.0 110.528 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 180' ' ' ASP . 3.1 m-20 -47.93 -52.24 20.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.534 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.35 -57.9 10.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.525 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -47.29 -38.92 13.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.408 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . 0.428 ' O ' ' OG ' ' A' ' 187' ' ' SER . 0.4 OUTLIER -61.92 -43.93 97.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.53 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -61.22 -35.2 76.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.616 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -60.65 -65.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.587 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 27.2 mt -64.35 -59.65 4.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.594 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 183' ' ' SER . 55.9 p -45.85 -40.51 9.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.375 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -67.04 -35.07 88.63 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -48.74 77.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.749 0.309 . . . . 0.0 110.414 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.975 HD21 HD11 ' A' ' 140' ' ' LEU . 0.5 OUTLIER -65.31 -46.28 80.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.546 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -60.56 -16.3 36.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.545 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -96.36 -52.91 3.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.6 tp -54.72 -27.49 18.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.699 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.62 179.961 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.766 0.317 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.842 HD22 ' N ' ' A' ' 12' ' ' LEU . 1.0 OUTLIER -107.4 173.33 6.37 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.135 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 64.6 mtm -74.9 162.35 28.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.855 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -75.22 142.93 76.03 Favored Pre-proline 0 CA--C 1.536 0.422 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.391 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.431 ' O ' ' OG1' ' A' ' 19' ' ' THR . 71.1 Cg_exo -40.69 -55.46 1.97 Allowed 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 122.169 1.913 . . . . 0.0 112.205 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -59.98 -51.85 67.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.123 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.421 ' O ' ' OD1' ' A' ' 21' ' ' ASN . 1.8 mm -48.66 -38.47 9.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.654 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -73.48 -60.9 2.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.628 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -46.22 -44.77 16.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.52 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -61.4 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.563 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.617 ' ND2' ' CE1' ' A' ' 32' ' ' TYR . 19.3 m120 -73.99 -9.61 58.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.598 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -132.6 27.56 4.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.573 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 19' ' ' THR . 0.8 OUTLIER -86.56 97.01 10.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.493 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 25' ' ' GLY . 23.7 m-20 46.73 -118.0 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.575 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 24' ' ' ASN . . . -57.48 -154.5 0.01 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.453 ' C ' HD12 ' A' ' 26' ' ' ILE . 1.2 pp -140.61 -174.91 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.746 0.308 . . . . 0.0 110.595 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -105.71 -117.06 4.26 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.517 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 1.3 tpm_? -154.45 137.46 15.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.747 0.308 . . . . 0.0 110.545 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 28' ' ' ARG . 56.7 p-80 40.7 59.29 2.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.597 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -156.26 21.21 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.485 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.836 HG22 ' CD2' ' A' ' 98' ' ' TRP . 7.2 p -46.79 138.02 6.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.962 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.617 ' CE1' ' ND2' ' A' ' 21' ' ' ASN . 1.4 m-85 -110.2 145.85 36.57 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.656 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.655 HD23 ' C ' ' A' ' 33' ' ' LEU . 6.2 tt -139.85 120.06 13.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.604 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -111.12 107.24 16.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.402 179.708 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.429 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 30.4 p90 -97.18 135.13 39.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.779 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.697 ' OE1' HG21 ' A' ' 164' ' ' THR . 1.9 tt0 -122.99 146.42 47.64 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.382 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.703 HG21 ' ND1' ' A' ' 51' ' ' HIS . 34.6 t -121.78 129.72 75.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.761 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -143.81 137.1 27.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.461 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.1 ptt85 -89.71 140.64 29.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.602 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.35 126.44 52.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.459 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.62 105.22 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.623 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.479 ' C ' ' H ' ' A' ' 44' ' ' THR . 0.3 OUTLIER 54.39 51.65 13.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.555 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.07 -18.97 1.35 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.479 ' H ' ' C ' ' A' ' 42' ' ' ASN . 1.7 m -75.08 109.05 8.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.803 0.335 . . . . 0.0 110.573 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.5 m -99.3 110.69 23.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.602 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.5 t -110.19 110.67 33.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.521 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 148.91 39.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.411 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 28.0 mtm -104.03 141.28 36.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.499 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -81.25 -50.36 9.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.662 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -88.68 66.99 8.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.325 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.703 ' ND1' HG21 ' A' ' 37' ' ' VAL . 7.8 t-80 -170.46 -2.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.588 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.426 ' H ' ' H ' ' A' ' 51' ' ' HIS . 35.3 mtm180 -100.67 156.44 17.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.644 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.429 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . -171.53 175.03 45.13 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 14.8 p90 -147.29 141.98 26.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.662 0.267 . . . . 0.0 110.591 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 mt -135.62 175.28 9.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.581 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.56 ' C ' ' HB2' ' A' ' 71' ' ' ALA . 1.6 p80 -137.76 152.59 49.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.462 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.569 HD22 ' N ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.719 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.485 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.868 0.366 . . . . 0.0 110.654 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.56 ' HB2' ' C ' ' A' ' 56' ' ' HIS . . . -75.62 -20.92 58.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.679 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -42.46 -49.55 5.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.1 tp -76.24 -39.55 54.21 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -51.31 -30.2 17.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.495 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -84.19 -47.19 11.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.602 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 76' ' ' LEU . 24.1 tp -63.47 -20.26 65.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.476 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -73.17 -34.36 65.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.654 ' C ' HD12 ' A' ' 78' ' ' LEU . 3.8 pp -100.13 8.04 44.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.817 0.341 . . . . 0.0 110.877 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.587 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -63.59 -41.38 65.63 Favored Pre-proline 0 CA--C 1.532 0.286 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.875 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 23.1 Cg_exo -60.99 -17.61 52.68 Favored 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 122.239 1.959 . . . . 0.0 112.092 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.9 -12.07 61.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.803 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.8 mt -87.37 5.9 36.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.675 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 41.92 45.73 3.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.515 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.2 mt -40.01 156.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.669 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 0.6 OUTLIER -115.65 85.05 13.3 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.58 -179.922 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -48.78 -13.18 0.25 Allowed 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.297 1.998 . . . . 0.0 112.233 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.505 ' C ' HE21 ' A' ' 88' ' ' GLN . . . -42.36 -74.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.443 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.505 HE21 ' C ' ' A' ' 87' ' ' ALA . 14.2 mm-40 -90.64 -170.51 2.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.423 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -91.22 158.95 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.454 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -137.17 173.84 11.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.631 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -149.55 110.34 4.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.703 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.8 t -97.23 113.99 33.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.31 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -98.13 118.98 35.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -101.45 131.99 47.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.533 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -126.27 103.05 7.46 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.77 150.0 15.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.971 -177.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.657 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 1.0 OUTLIER -97.01 -21.23 17.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.702 178.718 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.836 ' CD2' HG22 ' A' ' 31' ' ' THR . 18.8 m95 -111.98 153.3 27.0 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.405 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -78.86 160.52 71.46 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.53 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' A' ' 99' ' ' SER . 59.4 Cg_exo -42.16 171.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.497 2.131 . . . . 0.0 112.289 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.44 -75.1 0.5 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.218 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -109.48 98.42 7.81 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.242 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.516 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 12.6 t -44.72 -28.48 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.945 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -85.28 -21.79 28.85 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.531 -179.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -84.82 -62.35 1.69 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -78.85 -66.85 0.81 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.728 0.299 . . . . 0.0 111.065 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -60.49 -33.38 72.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.03 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -66.65 -58.17 8.87 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -57.83 -35.47 70.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.885 0.374 . . . . 0.0 110.357 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.9 t -74.73 -34.0 32.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.428 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 67.7 ttt-85 -60.86 -59.5 5.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.081 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.78 -42.22 75.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.131 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -54.13 -39.83 66.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.131 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.422 ' C ' ' N ' ' A' ' 116' ' ' GLU . 1.4 mp -76.09 -53.9 7.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.336 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -46.64 -20.77 0.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.308 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 114' ' ' LEU . 50.8 mt-10 -110.44 -18.88 13.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.088 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.504 ' O ' HG12 ' A' ' 120' ' ' VAL . 3.2 m120 -134.41 46.97 2.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.793 0.33 . . . . 0.0 111.059 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.9 t -59.32 -1.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.75 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.527 ' O ' ' ND1' ' A' ' 119' ' ' HIS . 2.4 p80 -76.33 8.66 3.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.504 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.504 HG12 ' O ' ' A' ' 117' ' ' ASN . 8.1 p -131.25 142.14 44.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.653 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.57 136.31 33.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.284 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.491 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -116.8 112.49 21.2 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.806 -179.626 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.491 ' N ' HD13 ' A' ' 122' ' ' LEU . 60.3 mtt180 -112.41 117.76 33.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.968 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 6.1 mt -105.59 128.48 59.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.202 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -126.42 118.23 24.56 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.769 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -101.06 113.57 26.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.279 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.657 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -81.65 -42.95 19.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.819 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -132.05 143.85 50.34 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.434 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.1 mt -103.78 124.44 58.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.57 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -167.58 119.51 0.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.347 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -149.77 -175.16 4.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.515 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -99.83 -57.43 2.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.516 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.57 162.72 19.36 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.387 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.51 -2.92 11.49 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.588 2.192 . . . . 0.0 112.091 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 tp -45.52 -27.7 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.66 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.494 ' CG ' ' N ' ' A' ' 137' ' ' LYS . 0.0 OUTLIER -42.66 -44.03 4.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.5 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.494 ' N ' ' CG ' ' A' ' 136' ' ' TYR . 67.6 tttt -57.21 -55.32 36.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.524 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -45.93 -36.56 5.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.463 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 136' ' ' TYR . . . -61.59 -57.34 12.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.55 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.6 mp -46.17 -34.27 4.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.514 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -77.97 -57.8 3.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.714 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.49 ' SD ' ' OG ' ' A' ' 103' ' ' SER . 2.5 ttm -44.49 -26.83 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.385 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 146' ' ' ALA . 10.2 mt -81.34 -48.88 11.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.468 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -44.98 -35.73 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.516 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.14 -24.52 47.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.542 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -78.99 -24.01 44.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.469 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 88.38 22.34 41.14 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -85.83 160.68 19.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.709 0.29 . . . . 0.0 110.603 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.5 125.93 39.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.493 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 2.2 t -132.14 115.4 26.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.594 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 5.6 p -149.75 161.88 41.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.543 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.521 ' O ' HG23 ' A' ' 152' ' ' ILE . 0.9 OUTLIER -84.39 126.69 40.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.533 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.59 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 3.3 ttt -41.6 108.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.601 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.28 174.2 7.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.592 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -53.48 -49.23 67.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.65 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -55.27 -60.55 3.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.744 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . 0.408 ' N ' ' CD ' ' A' ' 157' ' ' GLU . 3.9 mp0 -54.53 -28.84 48.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.794 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.59 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 0.3 OUTLIER -67.83 -63.9 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.673 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 11.6 ttpp -42.62 -46.16 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.993 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . 0.487 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.2 OUTLIER -67.78 -55.2 13.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.905 -179.681 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.487 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 10.9 t -56.21 -23.72 37.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.957 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' TRP . . . . . 0.634 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 4.5 t-105 -72.52 -69.72 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.913 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . 0.634 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 1.1 p30 -63.51 -14.23 48.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.274 -179.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.697 HG21 ' OE1' ' A' ' 36' ' ' GLU . 99.5 m -84.82 -25.75 27.91 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.22 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -121.56 18.77 11.25 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.594 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.538 ' C ' ' H ' ' A' ' 168' ' ' HIS . 58.8 t -134.44 154.09 36.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 121.06 0.457 . . . . 0.0 111.248 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . 0.432 ' N ' HG12 ' A' ' 166' ' ' VAL . 0.6 OUTLIER -75.05 33.02 0.1 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.575 179.424 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.756 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -38.18 -53.21 1.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.11 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . 0.629 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 42.8 mm-40 39.03 19.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.367 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . 0.756 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 140.35 0.08 1.91 Allowed Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . 0.618 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 1.2 m -114.12 85.98 10.98 Favored Pre-proline 0 CA--C 1.531 0.222 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -77.47 163.09 30.1 Favored 'Trans proline' 0 C--N 1.314 -1.283 0 C-N-CA 122.061 1.841 . . . . 0.0 112.655 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -51.56 142.56 13.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.734 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -120.84 84.1 37.66 Favored Pre-proline 0 CA--C 1.532 0.251 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.435 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -48.63 131.28 23.78 Favored 'Trans proline' 0 C--N 1.311 -1.435 0 C-N-CA 122.273 1.982 . . . . 0.0 112.147 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 1.3 p90 -98.25 178.15 5.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.509 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -80.84 101.13 9.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.517 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 139.11 -21.44 2.97 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.5 tt -42.26 -44.72 3.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.729 0.299 . . . . 0.0 110.505 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' A' ' 180' ' ' ASP . 0.6 OUTLIER -62.17 -54.02 47.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.567 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -53.35 -54.44 36.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.577 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -50.68 -46.66 58.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.549 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 12.1 t -62.15 -34.08 75.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.599 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -61.95 -34.72 76.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.612 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -74.11 -61.02 2.0 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.558 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 45.3 mt -56.27 -52.65 63.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.537 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 8.5 t -60.18 -46.47 89.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.635 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -47.22 -39.12 12.72 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 189' ' ' ARG . . . . . 0.419 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 0.4 OUTLIER -68.43 -60.03 2.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.797 0.332 . . . . 0.0 110.598 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.471 ' CD2' HD23 ' A' ' 194' ' ' LEU . 0.8 OUTLIER -49.03 -46.89 44.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.568 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -61.97 -36.45 81.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.609 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 192' ' ' ALA . . . . . 0.419 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -55.06 -48.27 73.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.654 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . 0.503 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.6 mp -72.87 -43.32 60.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.626 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . 0.471 HD23 ' CD2' ' A' ' 190' ' ' LEU . 1.6 mm? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.637 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.4 ' CD2' ' N ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.751 0.31 . . . . 0.0 110.362 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.983 HD22 ' H ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -98.82 173.44 6.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.524 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.59 ' SD ' ' CZ ' ' A' ' 54' ' ' PHE . 3.5 mpp? -74.81 167.34 22.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.756 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.67 144.69 80.78 Favored Pre-proline 0 CA--C 1.537 0.451 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.478 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.424 ' O ' ' OG1' ' A' ' 19' ' ' THR . 88.7 Cg_exo -41.49 -48.08 5.58 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 122.113 1.876 . . . . 0.0 112.13 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -45.62 74.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.117 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.9 mm -48.75 -33.58 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.813 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 35.9 t80 -82.5 -60.52 2.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 110.877 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -52.21 -25.66 9.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 -179.69 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.0 t -85.3 -46.93 10.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.66 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.598 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 24.2 t-20 -66.03 -26.44 67.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.666 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -110.19 22.0 16.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.684 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -61.72 102.97 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -43.2 118.57 1.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.609 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.35 76.91 1.01 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.404 ' O ' ' CZ ' ' A' ' 130' ' ' TYR . 1.8 pp -136.71 167.05 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.768 0.318 . . . . 0.0 110.469 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.4 ' H ' ' H ' ' A' ' 28' ' ' ARG . . . -158.51 -2.91 0.07 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 0.5 OUTLIER -172.9 120.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.589 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' A' ' 28' ' ' ARG . 3.8 m-70 -176.41 -89.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.625 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -175.17 102.14 0.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.296 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.73 HG22 ' CD2' ' A' ' 98' ' ' TRP . 1.6 p -46.56 159.94 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.048 0.451 . . . . 0.0 111.113 -179.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.598 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -130.58 146.99 52.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.264 179.847 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.587 HD23 ' C ' ' A' ' 33' ' ' LEU . 4.2 tt -136.29 109.19 7.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.665 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.476 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -104.25 112.36 25.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.006 179.499 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.477 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 41.6 p90 -105.61 145.85 30.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.197 -179.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.543 ' OE2' HG21 ' A' ' 164' ' ' THR . 3.5 mt-10 -139.29 130.73 27.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.374 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.722 HG11 ' CE1' ' A' ' 51' ' ' HIS . 17.4 t -98.14 135.79 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.979 0.419 . . . . 0.0 110.771 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -142.92 140.75 31.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.428 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.508 ' NH1' ' OD2' ' A' ' 41' ' ' ASP . 49.1 ttp85 -101.63 147.45 26.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.513 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mp -100.07 139.48 35.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.624 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.508 ' OD2' ' NH1' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -149.83 103.18 3.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.543 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.422 ' C ' ' H ' ' A' ' 44' ' ' THR . 3.4 t30 52.91 48.31 22.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.594 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.76 -16.76 3.04 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.422 ' H ' ' C ' ' A' ' 42' ' ' ASN . 1.3 m -84.23 106.94 16.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.87 0.366 . . . . 0.0 110.564 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.463 ' CB ' HH21 ' A' ' 91' ' ' ARG . 72.7 m -85.67 142.85 28.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.544 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.61 ' O ' HG23 ' A' ' 46' ' ' VAL . 20.4 m -136.28 117.52 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.64 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.32 150.38 24.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.38 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.69 156.7 22.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.662 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.92 -50.49 4.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.638 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -85.14 61.75 7.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.979 0.419 . . . . 0.0 110.189 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.722 ' CE1' HG11 ' A' ' 37' ' ' VAL . 5.1 t-80 -173.41 14.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.133 -179.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.36 170.99 14.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.614 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.477 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . 179.98 -160.34 25.31 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.59 ' CZ ' ' SD ' ' A' ' 13' ' ' MET . 6.9 p90 -149.35 152.29 35.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.761 0.315 . . . . 0.0 110.68 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.418 HD12 ' O ' ' A' ' 54' ' ' PHE . 1.2 mp -127.2 178.52 5.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.465 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.409 ' CD2' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -139.62 148.43 42.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.653 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.644 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.3 t60 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.781 0.324 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.16 -25.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.402 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -63.33 -44.24 95.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.449 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.7 -59.96 3.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.046 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.5 ttp85 -53.19 -24.21 10.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.1 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -81.74 -39.43 24.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.356 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 tp -59.43 -23.57 62.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.08 0.467 . . . . 0.0 109.825 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.07 -16.52 57.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.3 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.473 ' O ' HD23 ' A' ' 78' ' ' LEU . 6.3 tt -92.29 -5.15 52.86 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.034 -179.175 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.502 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -54.33 -44.27 98.53 Favored Pre-proline 0 CA--C 1.534 0.354 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.556 -179.31 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 25.8 Cg_exo -59.57 -20.77 59.08 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 121.995 1.797 . . . . 0.0 111.964 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.434 ' C ' HD12 ' A' ' 82' ' ' LEU . 6.1 m -69.0 -9.08 50.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.588 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.454 ' CD1' ' N ' ' A' ' 82' ' ' LEU . 7.3 mp -100.58 -45.55 5.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.303 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.425 ' O ' ' OE1' ' A' ' 83' ' ' GLN . 0.3 OUTLIER 68.59 51.9 0.61 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.86 179.597 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 51.8 mt -68.56 101.92 1.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.437 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.421 ' OD1' ' OE1' ' A' ' 83' ' ' GLN . 0.3 OUTLIER -77.91 161.35 71.53 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.538 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 87' ' ' ALA . 52.1 Cg_endo -71.47 1.28 5.72 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.577 2.185 . . . . 0.0 112.12 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 86' ' ' PRO . . . -41.57 -93.92 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.547 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.752 ' H ' ' NE2' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -104.73 -168.91 1.54 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.381 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.476 HG22 ' N ' ' A' ' 90' ' ' TYR . 3.2 mm -85.61 157.82 3.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.535 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.476 ' N ' HG22 ' A' ' 89' ' ' ILE . 18.1 m-85 -135.65 168.29 19.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.342 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.463 HH21 ' CB ' ' A' ' 45' ' ' SER . 0.5 OUTLIER -150.59 107.79 3.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.796 -179.839 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.432 ' O ' HD23 ' A' ' 122' ' ' LEU . 46.4 t -96.14 124.78 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.926 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.6 m -99.63 119.91 38.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.741 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.527 ' CD1' HD21 ' A' ' 122' ' ' LEU . 20.4 m0 -100.35 132.21 45.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.058 0.456 . . . . 0.0 110.677 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.432 ' CE2' ' SG ' ' A' ' 161' ' ' CYS . 62.7 m-85 -124.49 102.75 7.8 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -111.52 143.44 21.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.684 -178.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.636 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 1.6 p -91.63 -26.76 18.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.892 179.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.73 ' CD2' HG22 ' A' ' 31' ' ' THR . 16.5 m95 -111.79 151.0 29.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.123 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.511 ' CB ' HG23 ' A' ' 129' ' ' ILE . 37.8 m -83.57 150.61 60.19 Favored Pre-proline 0 CA--C 1.533 0.326 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.499 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' A' ' 99' ' ' SER . 66.5 Cg_exo -42.11 170.84 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.284 0 C-N-CA 122.244 1.963 . . . . 0.0 112.375 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.7 p -112.19 -46.56 3.18 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.275 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' A' ' 105' ' ' GLY . 1.5 t80 -135.79 111.37 9.26 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.94 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.608 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 80.2 p -41.08 -36.64 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.977 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -85.25 -19.82 31.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.586 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.22 -63.23 1.59 Allowed Glycine 0 CA--C 1.525 0.695 0 C-N-CA 120.43 -0.89 . . . . 0.0 110.935 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.4 m -78.1 -68.97 0.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 0.0 110.697 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -54.85 -39.05 68.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.604 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -56.96 -60.3 9.29 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -51.15 -39.78 57.09 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.295 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.54 -37.14 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.489 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -59.6 -58.9 6.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.414 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.411 ' O ' ' OE1' ' A' ' 116' ' ' GLU . . . -49.59 -42.6 44.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.361 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -61.91 -31.16 71.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.651 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.0 mp -80.9 -52.05 7.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.725 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -51.86 -25.9 8.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.573 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' A' ' 112' ' ' ALA . 5.0 pt-20 -110.18 18.09 20.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.525 ' C ' ' H ' ' A' ' 119' ' ' HIS . 5.8 t30 -166.53 35.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.739 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 68.7 p -51.48 -5.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.173 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.525 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -75.73 11.23 1.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 0.0 110.657 -179.881 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 120' ' ' VAL . 4.1 p -138.94 129.33 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.68 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -91.47 120.92 32.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.346 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.527 HD21 ' CD1' ' A' ' 94' ' ' TRP . 0.7 OUTLIER -107.18 112.59 25.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.048 -179.736 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -94.34 121.16 35.58 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 21.0 mm -104.38 125.97 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.927 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -126.4 113.42 16.84 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -98.25 110.87 23.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.155 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.636 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -78.52 -38.82 39.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.788 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.487 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.5 OUTLIER -137.05 148.6 46.89 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.571 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.511 HG23 ' CB ' ' A' ' 99' ' ' SER . 2.1 mp -114.17 104.25 16.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.747 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.404 ' CZ ' ' O ' ' A' ' 26' ' ' ILE . 6.9 m-85 -140.13 118.69 12.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.258 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.417 ' C ' ' H ' ' A' ' 133' ' ' ASP . 19.6 p30 -177.61 138.3 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.462 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . 0.504 ' CD2' ' OD1' ' A' ' 133' ' ' ASP . 54.7 p90 -74.21 10.06 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.143 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.504 ' OD1' ' CD2' ' A' ' 132' ' ' TYR . 57.9 m-20 -125.48 78.99 67.68 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.545 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 136' ' ' TYR . 50.7 Cg_exo -49.9 -5.35 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.638 2.226 . . . . 0.0 112.492 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.499 ' H ' ' C ' ' A' ' 133' ' ' ASP . 2.6 mt -46.84 -14.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.608 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.486 ' N ' ' O ' ' A' ' 134' ' ' PRO . 0.2 OUTLIER -42.19 -33.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.546 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -52.74 -59.21 4.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.251 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.05 -32.21 63.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.154 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -69.02 -24.09 64.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.388 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.7 -43.54 54.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.245 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -80.12 -36.91 34.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.769 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -46.53 80.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.687 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.506 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 52.5 tp -66.19 -49.76 66.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.464 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.438 ' NH1' HD21 ' A' ' 194' ' ' LEU . 8.5 ttt85 -45.0 -48.66 11.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.555 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -58.54 -24.82 61.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.584 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 143' ' ' LEU . . . -70.81 -10.94 60.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.636 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.31 -32.34 6.04 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -47.59 164.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.77 0.319 . . . . 0.0 110.502 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.25 132.7 41.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.513 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.99 111.92 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.654 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.08 162.11 41.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.509 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 10.1 mt -83.02 132.87 30.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.449 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.586 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 5.8 ttt -41.51 118.92 1.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.539 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.24 160.03 15.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.642 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -56.21 -45.98 79.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.616 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -43.14 75.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.492 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -65.85 -40.27 91.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.519 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.586 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.8 OUTLIER -52.37 -41.45 63.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.536 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -67.03 -60.79 2.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.595 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . 0.432 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -47.74 -44.47 28.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.363 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.529 ' O ' ' N ' ' A' ' 165' ' ' PHE . 1.3 m -67.19 -52.92 35.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.591 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' TRP . . . . . 0.585 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.1 t-105 -43.81 -66.57 0.37 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . 0.585 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -59.37 -30.35 68.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.452 -179.215 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.543 HG21 ' OE2' ' A' ' 36' ' ' GLU . 91.0 m -83.74 -16.36 45.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.354 -179.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.529 ' N ' ' O ' ' A' ' 161' ' ' CYS . 36.1 m-85 -120.42 19.7 12.0 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.377 -179.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.531 ' C ' ' H ' ' A' ' 168' ' ' HIS . 96.1 t -144.67 154.05 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.026 0.441 . . . . 0.0 111.121 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . 0.589 ' HA ' HD23 ' A' ' 12' ' ' LEU . 32.8 p30 -75.5 29.22 0.1 Allowed 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.873 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.744 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -37.84 -52.18 1.31 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.036 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . 0.609 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 13.8 mt-30 40.12 18.62 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.396 179.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . 0.744 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 138.92 4.42 1.56 Allowed Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.386 -0.685 . . . . 0.0 111.386 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . 0.627 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 1.2 m -115.55 84.1 11.82 Favored Pre-proline 0 CA--C 1.53 0.201 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -79.19 131.87 10.02 Favored 'Trans proline' 0 C--N 1.313 -1.303 0 C-N-CA 122.137 1.891 . . . . 0.0 112.317 -179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.434 ' CE1' ' O ' ' A' ' 174' ' ' GLN . 2.4 t80 -79.31 128.72 33.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.65 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . 0.459 ' CD ' ' N ' ' A' ' 174' ' ' GLN . 0.0 OUTLIER -101.23 156.68 34.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.423 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -71.29 146.89 52.0 Favored 'Trans proline' 0 N--CA 1.494 1.5 0 C-N-CA 122.476 2.118 . . . . 0.0 112.098 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 1.2 p90 -101.18 -170.06 1.78 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.292 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.25 86.56 7.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.585 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 151.78 -24.76 0.93 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 3.1 tp -56.57 -38.26 71.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 110.46 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 180' ' ' ASP . 0.0 OUTLIER -70.4 -50.93 33.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.495 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -56.47 -57.19 13.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.54 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -49.38 -55.45 12.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.575 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 55.4 p -48.46 -39.72 23.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.63 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -66.73 -48.04 70.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.461 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -57.7 -58.62 7.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.425 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 5.6 mt -51.6 -49.15 62.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.519 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 48.4 m -56.51 -25.04 50.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.492 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -72.42 -44.98 39.96 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 189' ' ' ARG . . . . . 0.55 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 22.2 mtm180 -59.4 -61.67 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.318 . . . . 0.0 110.493 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.2 tt -47.8 -56.65 6.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.468 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -49.97 -36.17 27.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.564 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 192' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -57.78 -50.42 73.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.62 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . 0.507 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -59.45 -38.12 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.461 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . 0.438 HD21 ' NH1' ' A' ' 144' ' ' ARG . 4.0 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.55 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.768 0.318 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.512 HD12 ' N ' ' A' ' 12' ' ' LEU . 6.4 mp -94.55 174.98 6.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.068 -179.835 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.508 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -61.16 144.26 53.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.322 -179.818 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.0 138.7 79.34 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.781 -179.213 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.408 ' O ' ' OG1' ' A' ' 19' ' ' THR . 81.0 Cg_exo -40.96 -46.76 5.0 Favored 'Trans proline' 0 N--CA 1.491 1.331 0 C-N-CA 122.132 1.888 . . . . 0.0 112.407 179.436 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -70.17 -44.73 68.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.197 -179.442 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.7 mm -48.81 -39.18 11.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.75 -179.525 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -79.3 -60.89 2.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.689 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.5 OUTLIER -48.16 -24.24 1.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.642 -179.954 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.5 t -81.08 -49.36 10.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.63 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -71.81 -1.63 14.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.732 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -133.17 24.52 4.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.664 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.46 ' CG ' ' H ' ' A' ' 24' ' ' ASN . 0.7 OUTLIER -77.86 -119.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.614 179.95 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.46 ' H ' ' CG ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -148.7 157.61 43.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.497 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 43.38 70.96 0.47 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.527 ' C ' HD12 ' A' ' 26' ' ' ILE . 1.6 pp -103.2 -165.95 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.23 159.05 27.88 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.519 ' CA ' ' NE ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -68.64 124.34 23.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.415 0.626 . . . . 0.0 110.392 -179.289 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.574 ' N ' ' ND1' ' A' ' 29' ' ' HIS . 0.0 OUTLIER -157.29 -30.35 0.08 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.544 179.537 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.44 ' N ' ' ND1' ' A' ' 29' ' ' HIS . 2.9 pttt 168.23 77.35 0.0 OUTLIER 'General case' 0 C--O 1.231 0.095 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.793 179.641 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.9 t -44.52 162.29 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.769 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -110.65 151.05 28.14 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.754 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.1 tp -143.12 111.88 6.44 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.454 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.31 132.19 51.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.065 179.437 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.441 ' O ' ' CG ' ' A' ' 35' ' ' TYR . 6.5 p90 -123.82 134.57 53.59 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 -179.568 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -123.26 159.1 29.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.276 179.587 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.618 HG21 ' CE1' ' A' ' 51' ' ' HIS . 25.6 t -130.56 123.38 54.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.584 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.526 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 1.2 tm-20 -139.14 138.24 36.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.625 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -98.11 139.02 34.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.496 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.435 HD11 ' HB2' ' A' ' 91' ' ' ARG . 8.9 mt -105.77 137.79 43.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.502 -179.793 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -148.42 104.57 3.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.527 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 55.66 36.1 26.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.554 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.9 -3.17 84.7 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.9 m -87.61 114.5 24.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 110.526 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.422 ' OG ' ' OE1' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -97.41 110.27 22.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.589 -179.938 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.8 t -101.53 98.37 6.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.532 179.906 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -73.33 131.55 42.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.444 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.464 ' O ' ' NH1' ' A' ' 52' ' ' ARG . 53.8 mtt -80.97 150.77 28.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.658 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.21 -50.4 5.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.474 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -108.44 71.07 0.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.383 179.834 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.622 ' NE2' HD22 ' A' ' 82' ' ' LEU . 33.9 t-80 -163.66 14.39 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.619 -179.734 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.464 ' NH1' ' O ' ' A' ' 48' ' ' MET . 5.5 ptp85 -124.21 170.84 10.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.56 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -178.94 -174.26 44.97 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.491 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 8.1 p90 -147.47 147.92 30.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.734 0.302 . . . . 0.0 110.678 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mp -133.56 166.67 22.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.592 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -128.94 151.57 49.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.217 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 110.929 -179.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.758 0.313 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.62 -36.52 80.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.439 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -55.96 -52.14 65.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.493 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.2 mp -53.05 -39.01 62.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.477 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -69.46 -27.44 65.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.58 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -78.86 -48.22 15.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.593 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 tp -65.76 -20.32 66.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.667 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -77.43 -29.06 52.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.991 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.661 ' C ' HD12 ' A' ' 78' ' ' LEU . 4.1 pp -105.05 7.79 34.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.675 -179.891 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.572 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -63.88 -41.44 63.65 Favored Pre-proline 0 CA--C 1.532 0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.806 179.865 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 32.9 Cg_exo -58.5 -18.53 39.84 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.166 1.911 . . . . 0.0 111.9 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.2 t -57.1 -8.98 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.598 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.622 HD22 ' NE2' ' A' ' 51' ' ' HIS . 35.1 mt -97.41 -34.64 10.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.531 -179.783 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 56.34 44.91 23.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.89 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 79.6 mt -50.46 135.86 21.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.219 179.727 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -100.63 162.58 20.28 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.615 -179.798 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -71.75 3.8 3.54 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.572 2.182 . . . . 0.0 112.232 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.56 -70.61 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.567 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.641 ' H ' ' NE2' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -129.68 -176.42 3.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.199 179.804 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.9 mt -84.64 157.96 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.612 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -127.92 169.71 13.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.618 -179.907 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.526 ' NH2' ' OE1' ' A' ' 38' ' ' GLU . 4.6 ttm180 -147.09 107.35 4.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.621 179.822 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 39.5 t -93.31 126.48 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.291 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.34 116.75 32.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.814 -179.649 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 14.0 m0 -101.31 131.96 47.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.568 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.518 ' CG ' ' SG ' ' A' ' 161' ' ' CYS . 19.0 m-85 -126.68 102.94 7.29 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 178.664 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.74 141.08 24.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.76 -178.548 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.626 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 2.9 p -93.24 -18.42 22.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.669 178.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.517 ' CE3' ' NH2' ' A' ' 28' ' ' ARG . 20.1 m95 -125.63 141.64 51.92 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.391 -179.903 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.807 ' OG ' HG23 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -54.33 159.73 2.98 Favored Pre-proline 0 C--N 1.331 -0.233 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.327 179.513 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -69.45 165.01 32.08 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 122.388 2.059 . . . . 0.0 112.203 179.715 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.598 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 13.9 p -96.58 -145.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.545 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.598 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -40.96 103.57 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.892 179.568 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.898 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 17.5 p -38.86 -24.63 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.646 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.52 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -84.61 -33.95 23.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.254 -179.59 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -77.65 -61.65 2.54 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -68.64 -68.95 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.742 0.306 . . . . 0.0 111.123 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.898 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -55.87 -60.36 3.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.092 -179.475 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -42.0 -53.05 4.77 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.68 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 105' ' ' GLY . 6.0 mm-40 -49.42 -44.68 45.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.37 . . . . 0.0 110.328 179.862 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 87.1 t -68.29 -43.33 84.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.438 179.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.495 ' NH2' ' OE1' ' A' ' 115' ' ' GLN . 69.7 ttt-85 -49.22 -58.51 4.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.42 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.8 -48.01 67.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.389 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -52.61 -36.45 56.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.508 179.843 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.464 ' C ' ' N ' ' A' ' 116' ' ' GLU . 4.8 mp -77.81 -58.48 3.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.55 -179.912 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.495 ' OE1' ' NH2' ' A' ' 111' ' ' ARG . 14.6 mt-30 -47.99 -15.17 0.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.42 179.86 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.464 ' N ' ' C ' ' A' ' 114' ' ' LEU . 29.9 tt0 -110.13 -38.64 5.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.808 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.689 ' O ' HG12 ' A' ' 120' ' ' VAL . 70.3 m-20 -125.3 52.95 1.57 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.825 -179.668 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.4 t -67.65 2.57 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.512 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.418 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.1 OUTLIER -76.31 9.83 2.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.358 179.871 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.689 HG12 ' O ' ' A' ' 117' ' ' ASN . 9.3 p -132.36 147.28 32.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.518 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -91.53 126.71 36.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.369 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.495 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -107.83 112.33 24.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.575 -179.793 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.495 ' N ' HD13 ' A' ' 122' ' ' LEU . 13.0 mtp180 -110.71 118.89 37.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.984 179.496 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.401 HG21 HD13 ' A' ' 124' ' ' ILE . 9.1 mt -105.45 129.17 58.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.117 -179.254 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.523 ' CD1' ' OE1' ' A' ' 157' ' ' GLU . 65.9 m-85 -124.86 108.49 11.97 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.734 179.514 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -92.22 106.87 18.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.265 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.626 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -75.17 -38.11 60.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.623 -179.846 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.43 132.88 28.52 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.733 179.889 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.807 HG23 ' OG ' ' A' ' 99' ' ' SER . 2.5 mp -98.2 109.71 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.621 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -127.96 135.35 49.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.383 179.672 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -168.39 171.75 8.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.681 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -103.57 -21.75 13.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.627 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.01 160.4 58.28 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.379 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.45 64.52 2.89 Favored 'Trans proline' 0 C--N 1.31 -1.472 0 C-N-CA 122.481 2.121 . . . . 0.0 111.898 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.5 tp -92.96 -30.79 15.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.571 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.596 ' OH ' HD12 ' A' ' 193' ' ' ILE . 0.5 OUTLIER -45.98 -24.92 0.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.51 -179.92 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.594 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 10.1 ttmm -58.9 -61.1 2.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.519 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.96 -36.04 69.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.53 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.7 -49.79 75.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.527 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.517 HD21 ' CD1' ' A' ' 190' ' ' LEU . 2.5 mp -52.99 -41.51 64.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.455 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . 0.614 HE22 ' NH2' ' A' ' 144' ' ' ARG . 67.2 mm-40 -70.89 -54.87 9.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.618 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 9.9 mmm -45.27 -41.97 9.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.587 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.1 mt -68.92 -42.41 76.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.645 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.614 ' NH2' HE22 ' A' ' 141' ' ' GLN . 16.3 ttm180 -56.31 -31.49 63.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.518 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.3 -14.15 41.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.579 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.43 -18.14 27.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.542 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.8 70.69 1.26 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -144.51 166.76 24.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 110.561 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -93.65 123.12 36.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.55 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -127.46 109.95 21.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.588 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 67.6 m -151.48 162.52 40.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.414 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 22.9 mt -90.91 139.03 18.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.495 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.585 ' SD ' ' CE1' ' A' ' 158' ' ' PHE . 2.8 ttm -48.87 120.03 3.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.593 -179.858 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 31.7 p -97.84 165.63 11.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.739 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -48.0 -44.26 30.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.663 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -62.2 -61.05 2.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . 0.523 ' OE1' ' CD1' ' A' ' 125' ' ' PHE . 37.0 mt-10 -52.2 -29.05 20.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.603 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.585 ' CE1' ' SD ' ' A' ' 153' ' ' MET . 0.3 OUTLIER -63.25 -65.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.32 179.814 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -42.52 -41.22 2.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . 0.612 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.93 -57.58 4.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.594 -179.894 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.612 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 2.6 t -55.08 -23.22 19.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.569 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 162' ' ' TRP . . . . . 0.617 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.4 t-105 -72.56 -70.52 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.209 -179.554 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . 0.617 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 1.4 p30 -66.23 -14.34 61.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.333 -179.359 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 87.1 m -81.71 -25.87 35.08 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.192 -179.604 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.508 ' O ' ' SD ' ' A' ' 13' ' ' MET . 5.3 m-85 -121.26 16.82 11.48 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.161 -179.547 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.551 ' C ' ' H ' ' A' ' 168' ' ' HIS . 71.5 t -130.66 153.8 39.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.882 0.372 . . . . 0.0 111.587 179.912 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . 0.47 ' N ' HG12 ' A' ' 166' ' ' VAL . 1.5 p-10 -74.69 29.71 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.608 178.885 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.73 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -36.84 -56.45 0.85 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.255 -179.783 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . 0.621 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 1.9 mt-30 42.72 14.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.232 179.423 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . 0.73 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 145.27 -1.69 1.05 Allowed Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . 0.629 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 0.1 OUTLIER -99.57 106.25 38.71 Favored Pre-proline 0 CA--C 1.538 0.492 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.74 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -77.1 158.24 33.97 Favored 'Trans proline' 0 N--CA 1.491 1.354 0 C-N-CA 121.737 1.624 . . . . 0.0 112.723 -179.099 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -51.81 149.79 4.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.666 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -114.26 87.07 12.82 Favored Pre-proline 0 CA--C 1.533 0.305 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.617 -179.837 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -79.9 131.22 8.94 Favored 'Trans proline' 0 C--N 1.314 -1.247 0 C-N-CA 122.132 1.888 . . . . 0.0 112.027 -179.884 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 26.7 p90 -89.77 145.19 25.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.659 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -52.96 102.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.569 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 136.33 -12.6 4.07 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.17 -30.38 26.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.563 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . 0.406 ' O ' ' OG ' ' A' ' 183' ' ' SER . 34.0 m-20 -73.74 -47.55 38.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.508 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -62.63 -57.58 10.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.539 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -49.68 -46.63 50.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.572 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 180' ' ' ASP . 89.1 p -59.27 -44.77 92.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.656 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -56.19 -30.25 62.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.552 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -72.94 -65.17 0.83 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 8.4 mp -53.93 -49.24 69.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.466 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 22.8 m -59.58 -32.25 70.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.382 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -67.49 -37.51 89.96 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -61.22 -59.57 5.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.775 0.321 . . . . 0.0 110.476 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.517 ' CD1' HD21 ' A' ' 140' ' ' LEU . 1.9 mm? -57.18 -28.6 62.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.512 -179.916 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -79.81 -16.26 55.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.485 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -79.46 -49.22 12.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.628 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . 0.596 HD12 ' OH ' ' A' ' 136' ' ' TYR . 20.6 tt -68.63 -42.44 83.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.628 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . 0.536 ' N ' HG23 ' A' ' 193' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.411 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.51 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.838 0.351 . . . . 0.0 110.663 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.546 HD12 ' N ' ' A' ' 12' ' ' LEU . 7.6 mp -95.17 173.35 7.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.329 179.857 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.473 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 2.6 mpp? -80.74 165.97 21.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.782 0.325 . . . . 0.0 110.447 179.594 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -81.15 143.21 52.27 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.824 -179.401 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.438 ' O ' ' OG1' ' A' ' 19' ' ' THR . 71.7 Cg_exo -42.44 -55.65 2.48 Favored 'Trans proline' 0 N--CA 1.489 1.257 0 C-N-CA 122.184 1.922 . . . . 0.0 112.701 179.612 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -59.74 -46.78 88.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.763 -179.056 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 mm -48.47 -36.06 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.853 -179.177 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -82.69 -61.14 1.96 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.724 0.297 . . . . 0.0 110.913 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -44.35 -24.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.783 -179.674 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.6 m -85.75 -59.7 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.759 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.566 HD22 ' NH2' ' A' ' 28' ' ' ARG . 11.7 m120 -64.78 -4.06 3.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.876 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 23' ' ' ASN . 41.8 m-85 -133.37 17.67 4.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.675 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 22' ' ' PHE . 58.9 t-20 -59.79 -123.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.5 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -158.92 119.67 3.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.674 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.702 ' H ' ' NH1' ' A' ' 128' ' ' ARG . . . 69.17 108.25 0.03 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.707 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -145.57 -167.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.867 0.365 . . . . 0.0 110.588 179.865 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.58 30.87 0.41 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.566 ' NH2' HD22 ' A' ' 21' ' ' ASN . 0.2 OUTLIER -103.77 150.42 24.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.852 0.358 . . . . 0.0 110.638 -179.94 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.523 ' N ' ' ND1' ' A' ' 29' ' ' HIS . 0.6 OUTLIER -101.84 82.94 2.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.55 179.889 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.77 50.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.616 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 t -46.97 153.82 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.142 -179.77 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.45 ' CZ ' ' ND1' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -115.75 140.48 49.17 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.115 179.487 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.619 HD23 ' C ' ' A' ' 33' ' ' LEU . 5.3 tt -132.45 118.04 18.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.607 -179.692 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.616 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -111.67 125.55 54.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.075 179.578 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.401 ' CZ ' ' N ' ' A' ' 53' ' ' GLY . 29.4 p90 -115.26 143.1 45.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 -179.664 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.484 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 1.2 mm-40 -128.69 156.98 42.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.317 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.738 HG11 ' CE1' ' A' ' 51' ' ' HIS . 7.0 t -129.09 127.67 66.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.863 -179.79 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -136.7 118.12 14.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.351 179.609 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.1 ttt-85 -87.13 135.91 33.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.644 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.612 HD22 ' N ' ' A' ' 40' ' ' LEU . 3.6 mm? -72.59 145.3 47.46 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -153.44 107.33 3.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.616 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.05 22.12 8.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.567 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.91 -12.95 66.8 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.7 m -89.0 138.59 31.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.78 0.324 . . . . 0.0 110.579 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.421 ' O ' ' OG ' ' A' ' 45' ' ' SER . 0.9 OUTLIER -86.62 112.1 21.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.492 -179.941 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.3 t -99.57 107.22 20.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.585 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -83.57 136.36 34.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.51 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 57.9 mtm -99.85 145.96 27.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.657 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.4 -50.12 7.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.574 -179.899 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -92.15 69.74 5.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.44 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.738 ' CE1' HG11 ' A' ' 37' ' ' VAL . 13.9 t-80 -168.51 -5.61 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.539 -179.865 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -103.06 170.71 7.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.495 -179.913 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.401 ' N ' ' CZ ' ' A' ' 35' ' ' TYR . . . -175.05 175.83 47.12 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.454 ' CE1' ' SD ' ' A' ' 13' ' ' MET . 18.2 p90 -149.87 152.81 35.7 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.5 150.21 17.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 110.763 -179.876 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.55 ' ND1' ' N ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -100.58 164.43 11.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.246 179.828 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.403 ' ND2' ' C ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.8 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.752 ' CE1' HD13 ' A' ' 73' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.529 0.138 0 CA-C-O 120.934 0.397 . . . . 0.0 110.665 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.1 -21.15 65.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.582 -178.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.52 ' OE2' ' CZ3' ' A' ' 94' ' ' TRP . 2.1 tp10 -42.31 -58.53 2.15 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.879 -179.462 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.752 HD13 ' CE1' ' A' ' 70' ' ' HIS . 3.8 mp -63.66 -48.47 77.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.178 -179.692 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.1 mmm-85 -44.0 -28.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.413 -179.822 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -84.54 -49.89 8.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.305 179.673 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.3 tp -60.15 -19.48 54.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.454 179.689 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -72.77 -41.48 65.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.701 -179.276 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.0 pp -97.11 8.79 43.77 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.02 -179.544 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.573 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -63.62 -41.55 66.55 Favored Pre-proline 0 CA--C 1.533 0.313 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.888 179.781 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 34.5 Cg_exo -57.19 -18.8 31.18 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.145 1.897 . . . . 0.0 111.95 -179.914 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.21 -22.07 64.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.463 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.687 HD22 ' CE1' ' A' ' 51' ' ' HIS . 10.7 mt -71.29 -26.2 62.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.475 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 63.22 47.22 4.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.736 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' A' ' 84' ' ' LEU . 74.9 mt -41.81 156.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.439 179.76 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -115.28 85.43 12.85 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.662 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -48.07 -13.93 0.25 Allowed 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 122.257 1.971 . . . . 0.0 112.229 -179.783 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.33 -18.7 51.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.342 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -138.63 -167.55 2.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.535 ' H ' HD12 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -107.79 158.95 7.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.065 0.46 . . . . 0.0 110.587 179.803 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -140.1 163.78 31.79 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.798 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -128.2 105.75 8.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.381 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.1 t -95.18 111.3 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.285 179.801 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -98.97 118.74 36.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.757 -179.782 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.52 ' CZ3' ' OE2' ' A' ' 72' ' ' GLU . 17.6 m0 -100.92 132.28 46.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.73 179.879 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -123.11 102.72 8.13 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.361 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.42 134.18 56.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.695 -178.118 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.613 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 1.4 p -86.5 -26.49 24.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.904 178.888 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.47 ' CH2' ' O ' ' A' ' 28' ' ' ARG . 18.3 m95 -111.89 153.35 26.8 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.674 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.51 160.82 76.5 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.367 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -56.0 172.86 0.49 Allowed 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.58 2.187 . . . . 0.0 112.06 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.97 -74.06 0.63 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.605 -179.803 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.52 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -101.63 99.19 9.44 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.438 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.903 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 52.1 m -41.61 -30.18 0.21 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.985 -179.529 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -85.41 -23.92 27.72 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.731 -179.297 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -84.89 -62.15 1.7 Allowed Glycine 0 CA--C 1.525 0.682 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.223 -179.627 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . 0.832 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -72.92 -59.23 2.81 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.142 -179.651 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.903 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -62.33 -50.48 71.45 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.665 -179.877 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -48.96 -43.03 30.86 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.862 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.64 ' HG3' HD11 ' A' ' 73' ' ' LEU . 10.4 mm-40 -71.02 -37.01 72.61 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.093 179.702 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 106' ' ' CYS . 94.1 t -62.71 -62.95 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.436 179.672 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.552 ' NE ' HE21 ' A' ' 115' ' ' GLN . 0.1 OUTLIER -47.21 -51.72 17.77 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.331 -0.547 . . . . 0.0 109.577 179.866 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.55 ' N ' ' CG ' ' A' ' 111' ' ' ARG . . . -42.25 -44.88 3.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.423 -179.677 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -63.04 -33.18 74.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.706 179.729 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 111' ' ' ARG . 5.2 mt -76.13 -58.99 2.96 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.269 -179.521 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.552 HE21 ' NE ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -58.86 -14.08 7.99 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.241 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -103.19 -39.26 6.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.503 ' O ' ' N ' ' A' ' 119' ' ' HIS . 2.3 m120 -125.19 49.19 1.91 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.883 -179.801 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.437 ' C ' ' H ' ' A' ' 120' ' ' VAL . 1.6 t -45.71 -13.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.081 -179.814 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.508 ' CE1' ' CG2' ' A' ' 120' ' ' VAL . 10.2 p80 -76.23 17.63 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.05 0.453 . . . . 0.0 110.472 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.508 ' CG2' ' CE1' ' A' ' 119' ' ' HIS . 42.2 t -140.14 138.3 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.384 179.822 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -91.3 148.49 22.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.111 179.766 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.497 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -129.81 112.39 13.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.815 -179.567 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.497 ' N ' HD13 ' A' ' 122' ' ' LEU . 11.3 mmt180 -114.05 118.95 35.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.788 179.385 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.401 HD12 HD21 ' A' ' 143' ' ' LEU . 7.7 mt -105.07 129.8 57.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.039 -179.36 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.521 ' CE1' ' OE2' ' A' ' 157' ' ' GLU . 66.6 m-85 -124.5 114.74 19.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.574 179.644 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -98.43 96.86 8.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.49 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.613 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -65.0 -37.62 88.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.675 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.702 ' NH1' ' H ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -138.56 134.01 33.3 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.726 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.761 HD13 ' N ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -92.48 110.0 22.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.268 179.756 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -162.55 129.38 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.453 -179.848 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.478 ' C ' ' H ' ' A' ' 133' ' ' ASP . 29.1 p-10 -174.64 131.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.493 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -70.72 9.81 0.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.213 179.8 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.533 ' C ' ' H ' ' A' ' 135' ' ' LEU . 53.3 m-20 -119.63 85.62 33.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.506 -179.909 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 136' ' ' TYR . 50.2 Cg_exo -50.43 -1.27 0.04 OUTLIER 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.639 2.226 . . . . 0.0 112.818 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.533 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.4 tp -69.48 4.66 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.8 0.333 . . . . 0.0 110.577 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.453 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 6.9 p90 -56.99 -30.39 64.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.77 -179.909 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -57.7 -60.07 4.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.336 179.815 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -59.14 -23.57 62.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.301 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 136' ' ' TYR . . . -69.25 -34.35 74.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.564 179.893 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.0 mp -72.51 -43.77 63.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.65 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -74.69 -48.89 23.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.796 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.3 -54.6 20.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.701 -179.832 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.448 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 29.7 tp -61.56 -43.7 98.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.79 -179.777 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . 0.471 ' C ' ' H ' ' A' ' 146' ' ' ALA . 36.8 ttp180 -47.4 -41.33 19.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.836 -179.768 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -63.22 2.28 0.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.711 -179.857 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.471 ' H ' ' C ' ' A' ' 144' ' ' ARG . . . -104.48 -24.21 13.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.652 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 102.9 -24.62 30.07 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -46.92 157.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.744 0.306 . . . . 0.0 110.603 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -95.7 124.76 39.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.524 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.645 ' O ' HG13 ' A' ' 150' ' ' VAL . 10.6 p -132.0 109.7 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.546 -179.875 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.11 162.02 41.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.608 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.93 139.09 19.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.516 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.585 ' SD ' ' CD1' ' A' ' 158' ' ' PHE . 9.2 ttm -49.8 148.4 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.634 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.09 156.16 29.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.683 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.466 ' C ' ' CD1' ' A' ' 155' ' ' TYR . 11.6 t80 -43.35 -47.92 6.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.789 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.74 -46.16 77.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.574 -179.872 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . 0.521 ' OE2' ' CE1' ' A' ' 125' ' ' PHE . 14.1 mt-10 -64.84 -41.61 95.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.727 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.585 ' CD1' ' SD ' ' A' ' 153' ' ' MET . 4.9 m-85 -51.99 -49.06 64.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.444 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 13.6 ttpt -57.28 -59.58 4.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -43.03 -40.72 3.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.895 -179.771 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 165' ' ' PHE . 93.4 m -76.71 -64.32 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.883 -179.635 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 162' ' ' TRP . . . . . 0.488 ' CD1' ' C ' ' A' ' 162' ' ' TRP . 1.1 t-105 -44.33 -31.51 1.06 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.978 0.418 . . . . 0.0 110.584 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.13 -46.68 12.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.377 -179.761 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 30.7 m -86.91 -50.32 6.77 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -178.492 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.523 ' N ' ' O ' ' A' ' 161' ' ' CYS . 6.1 m-85 -74.54 12.8 0.71 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.489 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 168' ' ' HIS . 1.0 OUTLIER -150.16 137.54 13.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.526 179.588 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' A' ' 169' ' ' GLN . 0.0 OUTLIER -69.85 65.99 0.24 Allowed 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.717 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.741 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -56.23 -8.23 0.46 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.609 -179.188 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . 0.42 ' H ' ' C ' ' A' ' 167' ' ' ASP . 25.7 mm-40 40.2 22.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.631 179.758 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . 0.741 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 100.34 32.66 5.42 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -179.742 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . 0.521 ' N ' ' O ' ' A' ' 168' ' ' HIS . 9.2 t -116.31 84.56 14.49 Favored Pre-proline 0 C--N 1.331 -0.227 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 -179.871 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -47.95 164.28 0.18 Allowed 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 122.326 2.017 . . . . 0.0 112.195 -179.633 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -51.78 149.68 4.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.999 -179.459 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -116.95 85.99 18.83 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.344 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -77.14 131.9 12.25 Favored 'Trans proline' 0 C--N 1.314 -1.266 0 C-N-CA 122.068 1.846 . . . . 0.0 112.195 -179.519 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 13.2 p90 -100.18 167.4 10.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.632 -179.811 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.73 116.04 9.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.609 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 125.89 -27.71 5.08 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.0 tt -43.05 -33.72 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.33 . . . . 0.0 110.533 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -66.89 -60.9 2.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.482 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -55.14 -47.2 75.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.424 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 182' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 185' ' ' ALA . 68.8 m-70 -55.27 -62.56 1.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.539 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 39.4 p -43.87 -33.62 1.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.489 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -68.68 -35.45 77.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.431 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 182' ' ' HIS . . . -66.18 -48.23 71.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.438 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . 0.706 HD12 HD11 ' A' ' 129' ' ' ILE . 4.2 mm? -53.07 -47.34 68.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.032 179.745 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -27.07 68.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.106 179.604 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -68.16 -29.04 73.15 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.755 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 10.2 mtt85 -77.69 -61.72 1.9 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.85 0.357 . . . . 0.0 110.424 179.84 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.5 tt -54.29 -44.92 72.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.406 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -60.57 -43.1 97.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.601 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -49.25 -52.43 27.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.557 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . 0.509 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.6 mp -61.22 -56.6 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.489 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.483 179.996 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.745 0.307 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.858 HD22 ' N ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -107.1 173.23 6.41 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.842 -179.96 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.6 ptp -91.14 163.03 14.42 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.228 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -69.58 146.05 95.69 Favored Pre-proline 0 CA--C 1.535 0.385 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.745 -179.353 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.42 ' O ' ' OG1' ' A' ' 19' ' ' THR . 88.1 Cg_exo -40.32 -49.19 3.98 Favored 'Trans proline' 0 N--CA 1.49 1.296 0 C-N-CA 122.296 1.997 . . . . 0.0 112.004 179.342 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.559 ' CG ' ' N ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -61.01 -54.33 46.19 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.408 -179.938 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.559 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 3.7 mm -48.58 -30.09 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.642 -179.692 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -81.77 -51.89 7.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.531 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -55.51 -33.69 63.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.444 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 16' ' ' HIS . 0.4 OUTLIER -72.59 -50.06 28.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.498 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.503 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 26.5 m120 -67.18 -11.71 58.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.507 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -133.22 26.09 4.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.527 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 19' ' ' THR . 0.2 OUTLIER -67.02 -14.37 62.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.556 -179.911 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.508 ' OD1' ' NH1' ' A' ' 128' ' ' ARG . 0.6 OUTLIER 63.88 128.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.453 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.628 ' N ' HH11 ' A' ' 128' ' ' ARG . . . 76.0 64.83 2.14 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.421 ' C ' HD12 ' A' ' 26' ' ' ILE . 1.1 pp -101.64 -175.85 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.802 0.334 . . . . 0.0 110.593 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -154.46 2.45 0.22 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.86 166.77 11.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.731 0.301 . . . . 0.0 110.512 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -100.96 93.07 5.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.545 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -173.09 52.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.361 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.766 HG22 ' CD2' ' A' ' 98' ' ' TRP . 3.2 p -46.85 162.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.987 -179.75 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.503 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -128.07 139.0 52.77 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.373 179.881 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.654 HD23 ' C ' ' A' ' 33' ' ' LEU . 6.3 tt -136.55 120.7 17.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.452 -179.763 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.59 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -113.73 110.28 19.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.245 179.632 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -92.93 134.5 35.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.82 -179.6 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.489 ' OE2' HG21 ' A' ' 164' ' ' THR . 3.6 tt0 -126.19 129.78 49.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.534 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.665 HG21 ' CE1' ' A' ' 51' ' ' HIS . 53.2 t -101.56 125.78 55.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.641 -179.916 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -133.05 127.12 33.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.523 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.5 ttm-85 -86.86 142.99 27.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.379 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mp -99.29 139.62 34.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.65 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -143.27 99.58 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.556 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.0 m-20 49.54 53.36 12.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.58 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.31 -27.1 2.85 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.0 m -69.68 120.93 16.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.783 0.325 . . . . 0.0 110.562 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.5 p -100.24 113.56 26.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.662 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.3 t -113.27 123.18 68.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.424 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.548 ' CD ' ' H ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -81.98 153.35 26.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.711 -179.842 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -102.95 147.01 27.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.52 179.899 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 49' ' ' ASP . 17.1 p-10 -93.99 -50.17 5.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.551 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.3 61.32 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.436 179.916 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.665 ' CE1' HG21 ' A' ' 37' ' ' VAL . 24.0 t-80 -170.27 25.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 -179.85 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -131.3 164.67 25.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.479 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -178.8 -175.39 45.81 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -149.21 164.09 35.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 110.812 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.8 mt -143.42 178.34 7.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.498 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.428 ' O ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -129.35 138.02 51.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.564 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' A' ' 56' ' ' HIS . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.608 179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.465 ' C ' ' N ' ' A' ' 72' ' ' GLU . 2.1 t60 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.784 0.326 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -47.3 -15.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.436 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.465 ' N ' ' C ' ' A' ' 70' ' ' HIS . 2.5 tt0 -61.11 -57.42 12.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.584 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.0 mt -50.25 -46.58 54.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.593 -179.886 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -56.36 -34.86 67.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.532 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -77.42 -42.72 35.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.537 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.2 mt -68.34 -20.15 64.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.655 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -78.19 -24.41 47.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 -179.538 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.674 ' C ' HD12 ' A' ' 78' ' ' LEU . 4.1 pp -109.52 6.02 23.71 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.798 0.332 . . . . 0.0 110.929 -179.76 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.591 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -64.1 -41.21 60.25 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.749 179.907 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 23.7 Cg_exo -60.88 -19.17 60.95 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.356 2.037 . . . . 0.0 112.006 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.2 m -66.99 -24.83 66.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.587 -179.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.652 HD22 ' NE2' ' A' ' 51' ' ' HIS . 9.8 mt -73.57 -18.88 61.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.531 -179.849 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 56.11 45.58 23.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.452 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.6 mt -41.27 154.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.598 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.471 ' C ' ' H ' ' A' ' 87' ' ' ALA . 9.2 m-20 -116.69 85.03 16.22 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.508 179.913 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -49.84 -7.88 0.1 Allowed 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.331 2.021 . . . . 0.0 112.277 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.471 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -52.2 -17.28 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.477 179.875 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -139.83 -175.17 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.477 179.899 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.0 mm -92.54 155.32 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.605 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -145.03 168.81 19.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.672 -179.88 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -147.63 109.96 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.357 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.72 125.87 62.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.537 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.434 HG23 ' HB2' ' A' ' 123' ' ' ARG . 54.8 m -128.47 128.45 44.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.344 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.531 ' CH2' HG22 ' A' ' 110' ' ' VAL . 1.7 m0 -105.73 132.27 52.07 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.862 179.862 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -96.16 102.61 14.43 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 177.777 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.87 144.46 16.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.057 0.456 . . . . 0.0 112.051 -177.563 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.658 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 0.1 OUTLIER -96.94 -17.82 19.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.178 179.184 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.766 ' CD2' HG22 ' A' ' 31' ' ' THR . 23.9 m95 -115.26 143.68 44.88 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.538 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.22 156.96 90.09 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -42.08 163.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.312 0 C-N-CA 122.253 1.968 . . . . 0.0 112.263 179.638 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.3 p -112.17 -52.09 2.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.142 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.487 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.2 OUTLIER -135.98 113.31 10.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.761 179.597 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 108' ' ' GLY . 2.3 m -43.66 -33.03 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.913 -179.683 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -84.52 -21.33 30.58 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.968 -179.747 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -86.15 -63.79 1.5 Allowed Glycine 0 CA--C 1.527 0.797 0 C-N-CA 120.394 -0.908 . . . . 0.0 110.965 179.847 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . 0.555 ' O ' HG23 ' A' ' 110' ' ' VAL . 1.3 m -79.2 -69.23 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.724 0.297 . . . . 0.0 111.053 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -57.48 -24.47 55.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.534 -179.746 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -67.87 -58.95 6.94 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 179.653 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -60.12 -22.08 62.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.879 0.371 . . . . 0.0 110.488 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 106' ' ' CYS . 57.3 t -71.03 -62.83 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.791 -179.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.557 ' NH2' ' CE ' ' A' ' 142' ' ' MET . 3.5 ptp180 -58.01 -38.04 75.42 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.215 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -53.36 -49.4 67.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.37 179.767 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 117' ' ' ASN . 1.3 t80 -55.41 -53.28 58.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.607 179.897 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.42 ' CD2' ' O ' ' A' ' 120' ' ' VAL . 86.7 mt -58.88 -48.97 79.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.716 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -46.56 -35.75 6.12 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.345 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.417 ' O ' ' OD1' ' A' ' 117' ' ' ASN . 22.7 mt-10 -110.17 5.2 21.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.13 -179.882 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.46 ' C ' ' H ' ' A' ' 119' ' ' HIS . 28.6 m-80 -153.65 46.56 0.64 Allowed 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.952 -179.883 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 76.5 p -51.43 -10.59 0.1 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.713 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.645 ' CD2' HG23 ' A' ' 120' ' ' VAL . 0.1 OUTLIER -79.91 9.91 4.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.619 -179.919 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.645 HG23 ' CD2' ' A' ' 119' ' ' HIS . 74.2 t -126.9 129.54 71.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.481 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.511 ' CZ ' HH22 ' A' ' 123' ' ' ARG . 25.6 mtp180 -92.14 112.68 24.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.424 179.892 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.59 HD13 ' H ' ' A' ' 123' ' ' ARG . 0.1 OUTLIER -99.27 134.02 42.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.456 -179.795 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.59 ' H ' HD13 ' A' ' 122' ' ' LEU . 45.5 mtt-85 -131.84 133.14 44.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.567 179.899 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 28.5 mm -106.04 121.56 58.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.454 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -110.61 97.84 7.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.552 -179.821 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -90.34 108.24 19.65 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.181 179.675 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.658 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -84.58 -44.16 13.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.769 -179.673 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.628 HH11 ' N ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -132.31 138.82 47.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.866 0.365 . . . . 0.0 110.482 -179.917 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.3 mt -98.63 117.43 43.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.659 -179.893 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -157.59 118.86 3.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.483 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.3 -167.74 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.491 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -104.9 -63.01 1.26 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.614 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.479 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -99.69 162.6 20.62 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.434 -179.857 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -69.92 21.18 0.18 Allowed 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.599 2.199 . . . . 0.0 112.15 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.479 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.3 mt -57.07 -25.32 58.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.553 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.462 ' CD1' ' N ' ' A' ' 137' ' ' LYS . 0.6 OUTLIER -56.3 -20.61 19.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.516 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.462 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 16.5 tttm -67.47 -60.21 2.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.449 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.03 -30.51 62.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.494 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.24 -56.06 24.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.526 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.9 mp -51.17 -44.73 61.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.494 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -60.71 3.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.666 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.557 ' CE ' ' NH2' ' A' ' 111' ' ' ARG . 13.3 mtp -54.7 -26.23 32.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.543 -179.901 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.571 ' CD1' ' HB3' ' A' ' 148' ' ' ALA . 0.2 OUTLIER -60.57 -60.85 3.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.473 179.769 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -55.82 -42.19 75.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.614 -179.891 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.35 -6.25 13.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.592 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -102.2 -4.68 25.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.587 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.33 -12.29 10.32 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.571 ' HB3' ' CD1' ' A' ' 143' ' ' LEU . . . -56.79 161.68 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.848 0.356 . . . . 0.0 110.572 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . 0.471 ' OE1' ' NH1' ' A' ' 123' ' ' ARG . 3.0 tt0 -101.29 112.75 25.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.589 -179.932 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.545 ' O ' HG13 ' A' ' 150' ' ' VAL . 8.0 p -111.46 125.38 68.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.544 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.5 m -153.18 161.92 41.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.593 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.507 HG12 HD12 ' A' ' 190' ' ' LEU . 3.5 mm -94.74 150.76 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.462 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 11.0 ttm -52.14 152.36 3.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.75 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 12.2 t -136.27 -177.65 4.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.557 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -73.94 -41.53 61.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.778 -179.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.97 -60.92 2.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.827 -179.88 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.09 -25.16 44.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.62 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.555 ' CE1' ' CZ ' ' A' ' 173' ' ' PHE . 0.2 OUTLIER -64.02 -57.96 8.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.805 0.336 . . . . 0.0 110.658 -179.755 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -53.92 -45.82 71.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.093 -179.855 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . 0.538 ' CD2' ' N ' ' A' ' 161' ' ' CYS . 0.3 OUTLIER -68.79 -58.19 4.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.786 0.326 . . . . 0.0 110.867 -179.595 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.538 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 18.0 t -55.61 -23.6 28.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.761 -179.872 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 162' ' ' TRP . . . . . 0.59 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 8.0 t-105 -71.69 -70.51 0.32 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.924 -179.666 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . 0.59 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 1.0 OUTLIER -62.85 -14.35 44.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.248 -179.472 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.489 HG21 ' OE2' ' A' ' 36' ' ' GLU . 90.3 m -84.79 -25.25 28.3 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.962 -179.709 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -121.3 19.34 11.43 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.882 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.514 ' C ' ' H ' ' A' ' 168' ' ' HIS . 96.3 t -142.7 135.5 26.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.896 0.379 . . . . 0.0 110.785 179.855 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . 0.49 ' C ' ' N ' ' A' ' 169' ' ' GLN . 4.0 p30 -73.94 38.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.731 179.519 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.676 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.2 OUTLIER -47.69 -13.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.334 -179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . 0.49 ' N ' ' C ' ' A' ' 167' ' ' ASP . 14.7 mm-40 46.01 12.69 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.976 179.74 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . 0.676 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 124.67 29.63 1.04 Allowed Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 179.588 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . 0.667 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.0 OUTLIER -113.4 92.28 22.64 Favored Pre-proline 0 CA--C 1.538 0.498 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.689 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -47.96 154.02 2.37 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.157 1.905 . . . . 0.0 112.275 -179.479 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.555 ' CZ ' ' CE1' ' A' ' 158' ' ' PHE . 37.6 t80 -55.82 149.58 14.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.735 -179.726 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -111.71 96.35 32.37 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.691 -179.605 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -78.63 145.16 20.34 Favored 'Trans proline' 0 N--CA 1.487 1.143 0 C-N-CA 121.906 1.737 . . . . 0.0 112.042 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 176' ' ' TRP . . . . . 0.712 ' HE1' ' CD2' ' A' ' 182' ' ' HIS . 0.9 OUTLIER -81.28 179.07 8.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.53 -179.848 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 177' ' ' ASP . 30.7 p-10 -92.5 85.68 5.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.653 -179.892 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 144.48 40.56 0.06 OUTLIER Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . 0.616 HD12 ' NE1' ' A' ' 176' ' ' TRP . 0.8 OUTLIER -70.73 -50.47 35.81 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.829 -179.425 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -61.62 -24.08 66.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.391 . . . . 0.0 110.462 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -70.02 -61.78 1.64 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.977 -179.88 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 182' ' ' HIS . . . . . 0.712 ' CD2' ' HE1' ' A' ' 176' ' ' TRP . 3.8 p80 -71.51 -37.35 71.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.92 -179.598 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . 0.553 ' N ' ' ND1' ' A' ' 182' ' ' HIS . 36.8 m -61.88 -57.7 10.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.6 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -33.63 67.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.509 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -54.43 -57.61 10.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.497 179.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . 0.475 HD11 HH21 ' A' ' 128' ' ' ARG . 40.3 mt -65.43 -47.32 76.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.651 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.13 -39.12 63.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.647 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -63.46 -48.17 80.73 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 189' ' ' ARG . . . . . 0.56 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 2.2 ttt180 -52.32 -57.46 9.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 0.0 110.585 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.507 HD12 HG12 ' A' ' 152' ' ' ILE . 1.0 OUTLIER -45.18 -55.2 6.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.428 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -50.95 -31.74 18.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.477 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 192' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -65.38 -40.12 93.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.545 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . 0.508 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -68.98 -37.56 77.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.542 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 60.2 mt . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.641 -179.965 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.455 ' N ' ' CD2' ' A' ' 11' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.89 0.376 . . . . 0.0 110.582 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.5 ' CD1' ' N ' ' A' ' 12' ' ' LEU . 7.0 mp -95.2 172.99 7.78 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.228 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -68.66 147.01 52.49 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.459 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.7 OUTLIER -70.36 146.73 94.62 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.556 -179.487 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.418 ' O ' ' OG1' ' A' ' 19' ' ' THR . 85.7 Cg_exo -39.41 -49.09 3.2 Favored 'Trans proline' 0 N--CA 1.488 1.202 0 C-N-CA 122.251 1.967 . . . . 0.0 111.992 179.575 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -67.86 -47.91 67.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.043 -179.689 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.3 mm -54.53 -37.72 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.695 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -72.19 -60.96 1.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.734 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.7 OUTLIER -54.81 -28.63 50.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.53 -179.953 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 m -65.79 -52.36 51.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.44 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.55 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 18.8 m120 -57.1 -39.79 75.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.533 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -98.96 31.13 3.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.691 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -71.61 71.64 0.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.447 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 42.21 -137.79 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.429 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.428 ' HA2' ' HE ' ' A' ' 128' ' ' ARG . . . -82.73 137.92 17.42 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.811 HD11 ' HE1' ' A' ' 98' ' ' TRP . 0.7 OUTLIER -136.03 166.91 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 0.0 110.58 -179.865 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -99.59 -29.57 6.93 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 179.809 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.736 ' HE ' ' N ' ' A' ' 29' ' ' HIS . 0.0 OUTLIER -73.35 131.6 42.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 0.0 110.123 179.775 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.736 ' N ' ' HE ' ' A' ' 28' ' ' ARG . 47.4 p-80 -71.65 44.08 0.1 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.339 179.719 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.431 ' H ' ' C ' ' A' ' 28' ' ' ARG . 8.2 tttm -71.46 41.78 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.244 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 29' ' ' HIS . 2.2 p -46.99 114.71 0.9 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.62 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.55 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -106.02 141.9 36.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.39 179.856 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.8 tp -135.58 109.63 8.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.522 -179.489 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.68 113.59 27.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.143 179.423 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 16.6 p90 -102.17 146.81 27.43 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.945 0.403 . . . . 0.0 111.236 -179.495 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.423 ' O ' ' OE2' ' A' ' 38' ' ' GLU . 0.2 OUTLIER -146.72 129.76 16.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.35 179.939 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.6 t -98.57 132.72 43.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-O 121.034 0.445 . . . . 0.0 110.626 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.496 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 0.9 OUTLIER -134.39 121.23 20.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.362 179.799 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -82.79 141.39 32.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.492 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mp -102.04 143.1 32.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.606 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.51 100.77 3.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.611 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.474 ' C ' ' H ' ' A' ' 44' ' ' THR . 11.0 m120 48.14 57.45 6.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.655 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.79 -27.07 0.93 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.474 ' H ' ' C ' ' A' ' 42' ' ' ASN . 0.2 OUTLIER -74.51 103.76 4.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.824 0.345 . . . . 0.0 110.585 -179.959 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.2 m -76.24 143.59 40.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.505 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.1 t -136.27 98.44 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.575 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.4 pttm -75.08 135.13 41.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.493 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.3 mmt -82.33 144.61 30.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.551 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -84.39 -50.52 7.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.684 -179.9 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.62 68.96 4.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.951 179.578 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.408 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 11.5 t-80 -163.88 14.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.513 -179.213 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -100.6 127.96 46.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.642 -179.701 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -148.41 158.21 27.59 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.533 -1.027 . . . . 0.0 110.533 179.839 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.527 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 4.1 p90 -140.65 142.14 35.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.93 0.395 . . . . 0.0 110.846 -179.756 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.2 mt -127.91 178.49 6.14 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.511 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -144.15 155.72 44.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.4 179.859 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.9 t30 . . . . . 0 C--N 1.332 -0.192 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.45 179.956 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.2 m80 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.785 0.326 . . . . 0.0 110.699 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.19 -27.24 13.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.404 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.434 ' OE2' ' SG ' ' A' ' 106' ' ' CYS . 39.3 mt-10 -63.75 -43.09 97.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.314 179.893 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 39.4 mt -66.69 -57.07 7.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.252 179.698 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -27.22 10.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.163 179.61 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.456 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 31.3 t80 -84.6 -40.16 17.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.379 179.784 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 tp -57.67 -21.1 38.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.472 179.832 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.04 -20.89 37.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.448 179.913 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.626 ' C ' HD23 ' A' ' 78' ' ' LEU . 0.4 OUTLIER -84.17 -33.65 24.16 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.2 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.585 ' N ' HD23 ' A' ' 78' ' ' LEU . 4.6 t -46.17 -59.75 4.46 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.31 -179.836 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 6.5 Cg_endo -49.75 -17.07 1.79 Allowed 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 121.89 1.727 . . . . 0.0 112.229 179.803 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 t -69.73 -30.42 68.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.569 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.557 HD22 ' N ' ' A' ' 82' ' ' LEU . 3.9 mm? -83.77 -39.4 20.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.471 179.695 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 58.45 41.01 23.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.702 -178.806 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.4 mt -38.66 107.23 0.06 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.52 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -41.61 105.28 0.39 Allowed Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.643 -179.711 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -48.11 -19.97 1.95 Allowed 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 121.829 1.686 . . . . 0.0 112.101 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.55 -88.73 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.644 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.607 ' CD ' ' H ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -63.58 167.5 5.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.437 -179.86 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.2 mm -84.95 158.13 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.507 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -139.62 177.97 7.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.759 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.496 ' NH1' ' OE1' ' A' ' 38' ' ' GLU . 41.7 ttp85 -156.86 108.81 2.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.527 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.4 t -93.61 118.65 39.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.138 179.565 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.416 ' OG1' ' OE1' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -93.95 122.16 36.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.557 -179.766 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.424 ' CH2' ' CG2' ' A' ' 110' ' ' VAL . 7.2 m0 -106.79 132.26 52.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.707 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.505 ' CG ' ' SG ' ' A' ' 161' ' ' CYS . 53.3 m-85 -125.92 103.14 7.6 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.614 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.37 143.7 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.776 -178.416 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.636 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 19.4 p -96.98 -33.69 11.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.099 179.388 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.811 ' HE1' HD11 ' A' ' 26' ' ' ILE . 7.6 m95 -111.85 136.66 50.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.265 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.03 157.7 1.37 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.916 -179.768 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.34 173.18 14.18 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 122.668 2.246 . . . . 0.0 112.215 179.5 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.629 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 1.8 p -103.49 -153.98 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.452 179.877 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.629 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.2 OUTLIER -36.88 113.02 0.22 Allowed 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.407 0.623 . . . . 0.0 109.932 179.466 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 108' ' ' GLY . 83.9 p -40.24 -24.9 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.907 -179.783 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.47 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.2 OUTLIER -86.1 -24.9 26.09 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.973 -179.109 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.4 -63.73 1.55 Allowed Glycine 0 CA--C 1.526 0.77 0 C-N-CA 120.32 -0.943 . . . . 0.0 110.874 -179.866 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . 0.434 ' SG ' ' OE2' ' A' ' 72' ' ' GLU . 2.1 m -78.87 -69.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.37 . . . . 0.0 111.052 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' A' ' 103' ' ' SER . . . -60.26 -22.4 63.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 -179.693 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -71.43 -63.05 3.21 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -46.97 -35.25 6.35 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.716 179.599 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.424 ' CG2' ' CH2' ' A' ' 94' ' ' TRP . 29.3 t -72.83 -56.22 10.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.325 179.522 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -49.09 -53.34 21.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.064 179.813 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.84 -42.07 64.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.135 179.682 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 117' ' ' ASN . 27.8 t80 -65.58 -32.61 74.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.693 179.859 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 mt -71.68 -58.91 3.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.728 -179.837 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -13.57 48.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.643 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -103.21 -26.74 12.87 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.658 179.718 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.623 ' O ' HG12 ' A' ' 120' ' ' VAL . 4.2 m120 -138.11 49.47 1.94 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.865 -179.867 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.2 t -60.95 4.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.31 -179.761 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.523 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.1 OUTLIER -75.58 2.04 12.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.012 0.434 . . . . 0.0 110.16 179.8 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.623 HG12 ' O ' ' A' ' 117' ' ' ASN . 7.7 p -128.86 147.36 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.251 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.03 110.44 21.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.359 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.489 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -92.07 112.18 24.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.5 -179.801 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.489 ' N ' HD13 ' A' ' 122' ' ' LEU . 23.5 mtt-85 -116.21 117.69 30.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.03 179.679 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 5.0 mt -105.19 135.94 41.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.078 -179.368 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -129.13 98.12 4.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.718 179.561 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -82.37 114.84 21.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.985 179.571 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.636 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -82.44 -37.41 25.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.687 -179.737 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.428 ' HE ' ' HA2' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -143.67 145.77 32.71 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.95 179.877 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.6 mt -101.54 110.17 27.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.41 179.833 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -154.96 114.7 3.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.709 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -152.92 -147.04 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.367 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -106.8 -64.38 1.19 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.65 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.47 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.2 OUTLIER -104.0 161.35 23.2 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.463 -179.91 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.481 ' C ' ' H ' ' A' ' 136' ' ' TYR . 41.4 Cg_endo -70.2 17.8 0.22 Allowed 'Trans proline' 0 C--N 1.31 -1.492 0 C-N-CA 122.559 2.172 . . . . 0.0 111.9 179.835 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.627 HD13 ' HA ' ' A' ' 102' ' ' PHE . 1.3 mt -53.97 -7.41 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.625 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.481 ' H ' ' C ' ' A' ' 134' ' ' PRO . 0.5 OUTLIER -61.13 -32.04 71.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.659 179.924 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -70.28 -62.13 1.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.518 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.472 ' HB3' HD23 ' A' ' 135' ' ' LEU . 27.5 tt0 -50.12 -23.62 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.348 179.868 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -75.02 -43.49 53.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.424 179.78 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.58 ' O ' HD23 ' A' ' 140' ' ' LEU . 0.8 OUTLIER -59.31 -30.74 68.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.254 179.74 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.72 -56.27 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.664 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -31.57 66.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.607 -179.852 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 40.7 tp -82.09 -40.94 21.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.468 -179.853 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.32 -38.31 58.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.518 179.898 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -64.33 -8.2 12.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.559 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -95.31 -13.45 24.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.623 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 97.7 -26.96 21.03 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -42.16 139.43 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.67 0.271 . . . . 0.0 110.637 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -93.68 112.64 24.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.638 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.34 109.88 30.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.554 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.69 161.91 36.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.554 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.52 HD12 ' N ' ' A' ' 152' ' ' ILE . 1.5 mp -82.21 137.9 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.462 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 22.5 mmm -41.42 125.26 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.7 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 67.4 p -106.78 152.87 23.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.562 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -41.79 -54.15 3.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.507 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.04 -60.14 3.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.506 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -53.17 -31.17 41.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.539 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.86 -61.37 2.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.516 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -42.27 -47.8 4.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.103 -179.799 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . 0.598 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.58 -58.02 4.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.192 -179.432 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.598 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 7.9 t -54.23 -23.54 15.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.639 -179.78 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 162' ' ' TRP . . . . . 0.634 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 4.1 t-105 -72.09 -70.15 0.35 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.552 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . 0.634 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.6 OUTLIER -61.48 -36.28 80.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.889 0.376 . . . . 0.0 110.782 -179.736 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 94.3 m -59.18 -27.04 65.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.268 -179.586 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -121.34 15.69 11.35 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.533 -179.374 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.567 HG12 ' N ' ' A' ' 168' ' ' HIS . 63.2 t -130.05 138.98 52.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.894 0.378 . . . . 0.0 111.002 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -76.78 34.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.173 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.592 ' CD2' ' N ' ' A' ' 169' ' ' GLN . 21.1 p-80 -37.48 -44.04 0.63 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.547 -179.805 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . 0.592 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 8.9 mm100 40.58 21.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.923 179.881 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 168' ' ' HIS . . . 136.63 14.31 0.91 Allowed Glycine 0 CA--C 1.528 0.887 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.706 179.706 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . 0.421 ' H ' ' HB2' ' A' ' 168' ' ' HIS . 1.2 m -125.26 81.05 64.12 Favored Pre-proline 0 C--N 1.332 -0.174 0 CA-C-O 120.697 0.284 . . . . 0.0 110.297 179.825 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -51.83 172.33 0.14 Allowed 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.712 2.275 . . . . 0.0 112.316 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -53.51 149.74 7.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.747 -179.881 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -113.96 87.13 12.22 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.717 -179.709 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -79.65 131.34 9.25 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 C-N-CA 122.096 1.864 . . . . 0.0 112.051 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 14.8 p90 -100.88 173.69 6.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.6 -179.875 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -77.0 93.0 3.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.519 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 148.15 -18.12 1.36 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.6 tp -47.0 -35.01 6.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 110.556 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -59.36 2.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.535 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -46.32 -53.53 10.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.648 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -55.9 -47.41 77.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.599 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.62 -36.95 72.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.589 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -68.58 -34.15 75.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.633 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -62.8 -65.21 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.593 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . 0.546 HD12 ' N ' ' A' ' 186' ' ' LEU . 10.4 mp -56.14 -45.6 79.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.568 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 49.0 m -55.85 -39.25 71.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.466 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -63.21 -36.65 93.71 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 10.2 ttt85 -60.23 -61.65 2.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.332 . . . . 0.0 110.496 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.7 tt -47.28 -47.38 25.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.563 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -50.7 -42.26 56.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.593 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -59.19 -52.0 67.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . 0.502 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -53.97 -49.89 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.446 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.564 -179.986 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.71 ' C ' HD23 ' A' ' 12' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.813 0.34 . . . . 0.0 110.558 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.872 ' N ' HD23 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -106.05 175.24 5.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.778 -179.754 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 35.6 mtm -60.5 165.32 3.8 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.54 -179.154 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.48 155.6 51.13 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.706 -179.381 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.428 ' O ' ' OG1' ' A' ' 19' ' ' THR . 74.1 Cg_exo -39.73 -55.54 1.63 Allowed 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 122.576 2.184 . . . . 0.0 112.435 179.704 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -62.79 -54.31 40.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.272 -179.474 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.3 mm -48.5 -29.94 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.631 -179.565 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -81.1 -57.73 3.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.693 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.514 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -51.33 -49.1 62.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.495 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -63.86 -43.65 95.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.514 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.623 HD21 ' CB ' ' A' ' 32' ' ' TYR . 16.5 t30 -64.44 -23.61 67.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.506 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -118.5 15.33 13.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.421 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.514 ' N ' ' O ' ' A' ' 19' ' ' THR . 0.7 OUTLIER -56.64 108.17 0.46 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.657 -179.952 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -43.97 137.45 3.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.608 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.27 96.74 0.09 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 pt -140.31 171.59 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 110.595 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -158.95 61.54 0.31 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.526 ' O ' ' CZ2' ' A' ' 98' ' ' TRP . 0.1 OUTLIER -140.37 152.42 45.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.521 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -91.07 81.02 5.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.434 179.903 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.3 tttm -167.03 42.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.513 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.416 HG22 ' CG ' ' A' ' 57' ' ' ASN . 10.9 t -46.5 150.97 0.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.993 -179.837 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.623 ' CB ' HD21 ' A' ' 21' ' ' ASN . 1.2 m-85 -108.05 147.46 31.13 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.422 179.722 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.628 HD23 ' C ' ' A' ' 33' ' ' LEU . 5.6 tt -136.84 114.33 10.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.493 -179.889 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.523 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -105.32 110.46 22.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.229 179.59 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.56 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 5.7 p90 -101.08 134.41 44.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.065 -179.722 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 1.8 tm-20 -123.51 152.86 41.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.057 179.855 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.661 HG21 ' CE1' ' A' ' 51' ' ' HIS . 30.2 t -119.4 123.21 70.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.871 0.367 . . . . 0.0 110.767 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -133.39 121.89 22.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.425 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -98.11 144.84 27.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.61 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.57 HD11 ' HD3' ' A' ' 91' ' ' ARG . 22.8 mt -93.98 156.88 16.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.577 179.925 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -155.83 101.63 2.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.497 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 62.71 23.37 13.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.547 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 99.39 -6.85 59.58 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.5 m -91.61 124.38 35.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.763 0.316 . . . . 0.0 110.613 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.418 ' O ' ' OG ' ' A' ' 45' ' ' SER . 1.4 p -89.13 110.32 21.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.55 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 57.6 t -105.02 112.14 37.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.599 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -86.71 134.94 33.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.6 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.2 mtm -101.96 141.09 35.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.529 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.8 -50.28 6.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.574 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -79.25 53.25 1.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.449 179.856 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.661 ' CE1' HG21 ' A' ' 37' ' ' VAL . 37.0 t-80 -169.18 46.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.528 -179.873 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.44 170.84 21.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.689 -179.882 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -173.3 -170.8 37.29 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.826 -0.909 . . . . 0.0 110.826 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -151.97 139.66 19.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.808 0.337 . . . . 0.0 110.729 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mp -136.15 174.23 10.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.529 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.567 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -131.05 157.63 42.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.483 179.898 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.482 ' HB3' ' HB2' ' A' ' 71' ' ' ALA . 4.1 p-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.545 -179.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 30.7 m170 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.853 0.359 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.482 ' HB2' ' HB3' ' A' ' 57' ' ' ASN . . . -82.02 -37.96 25.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.572 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -61.48 -42.32 98.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.584 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.0 mp -62.05 -60.01 4.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.221 179.8 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.92 -28.14 6.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.977 179.652 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.56 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 17.3 t80 -80.74 -38.23 29.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.323 179.757 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.1 tp -57.66 -22.88 48.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.007 179.678 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -67.25 -16.07 64.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.686 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.9 tt -93.72 -13.4 27.5 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.56 -178.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.542 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -60.22 -42.87 91.82 Favored Pre-proline 0 CA--C 1.533 0.307 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.256 -179.105 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 23.5 Cg_exo -60.31 -25.73 80.95 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.215 1.943 . . . . 0.0 112.031 179.811 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.73 -9.16 41.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.819 -179.931 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.519 HD22 ' NE2' ' A' ' 51' ' ' HIS . 8.5 mt -104.39 -49.56 3.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.481 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.5 49.76 8.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.722 179.752 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 53.6 mt -53.66 133.24 41.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.488 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.75 160.35 27.56 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.397 -179.818 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -70.08 -2.07 9.79 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.533 2.156 . . . . 0.0 112.269 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.61 -37.99 1.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.588 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -151.98 -166.91 2.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.592 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.4 mt -99.55 155.98 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.062 0.458 . . . . 0.0 110.796 -179.859 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -137.01 154.06 50.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.726 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.57 ' HD3' HD11 ' A' ' 40' ' ' LEU . 25.3 mtm180 -142.66 106.06 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.65 -179.872 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.7 t -89.1 127.17 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.049 179.568 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.0 119.23 37.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.794 -179.715 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.537 ' CD1' HD21 ' A' ' 122' ' ' LEU . 16.4 m0 -100.35 131.71 46.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.057 0.456 . . . . 0.0 110.535 179.891 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -123.38 103.11 8.28 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.638 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.32 142.23 23.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.673 -178.343 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.584 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 0.3 OUTLIER -87.94 -24.21 23.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.698 179.105 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.526 ' CZ2' ' O ' ' A' ' 28' ' ' ARG . 19.4 m95 -112.24 -178.32 3.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.191 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.622 ' HB3' HG23 ' A' ' 129' ' ' ILE . 0.0 OUTLIER -105.97 164.4 15.06 Favored Pre-proline 0 C--N 1.332 -0.178 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.548 179.95 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.43 ' O ' ' O ' ' A' ' 99' ' ' SER . 57.0 Cg_exo -42.45 172.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 122.605 2.203 . . . . 0.0 112.3 179.601 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -126.08 -50.95 1.55 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.402 179.837 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 105' ' ' GLY . 2.1 t80 -139.36 105.49 5.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.118 179.656 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.885 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 36.8 t -42.08 -33.71 0.62 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.974 -179.578 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -84.78 -22.99 29.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.102 -179.612 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -84.76 -62.2 1.71 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -67.04 0.54 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.714 0.292 . . . . 0.0 110.743 -179.883 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.885 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -53.27 -29.19 31.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.694 -179.868 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.49 -60.97 7.6 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 105' ' ' GLY . 2.0 mp0 -51.98 -59.75 3.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.836 0.351 . . . . 0.0 110.576 -179.932 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 40.7 t -52.46 -55.6 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.675 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 53.2 ttt-85 -42.33 -59.07 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.573 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -44.94 -47.03 11.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.553 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 117' ' ' ASN . 1.1 t80 -55.54 -62.36 1.73 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.604 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 62.9 mt -46.37 -50.24 16.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.741 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -46.66 -43.42 17.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.688 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.13 16.92 21.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.921 -179.888 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' A' ' 113' ' ' PHE . 29.2 m120 -148.22 31.1 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.803 179.878 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -45.68 -22.93 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.607 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.692 ' CD2' HG23 ' A' ' 120' ' ' VAL . 0.0 OUTLIER -76.23 8.91 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.991 0.424 . . . . 0.0 110.38 179.812 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.692 HG23 ' CD2' ' A' ' 119' ' ' HIS . 43.1 t -132.09 116.43 29.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.428 179.833 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.3 147.07 23.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.549 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.537 HD21 ' CD1' ' A' ' 94' ' ' TRP . 0.6 OUTLIER -130.38 112.59 13.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.979 -179.701 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.502 ' C ' HD12 ' A' ' 124' ' ' ILE . 0.1 OUTLIER -95.61 123.2 39.05 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.241 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.502 HD12 ' C ' ' A' ' 123' ' ' ARG . 1.6 mp -104.92 129.03 58.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.828 -179.29 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.52 ' CE1' ' OE1' ' A' ' 157' ' ' GLU . 64.8 m-85 -125.37 108.13 11.37 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.907 179.783 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -93.79 109.49 21.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.077 179.418 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.584 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -76.97 -54.21 6.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.042 -179.562 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.62 ' CA ' ' HE ' ' A' ' 128' ' ' ARG . 0.0 OUTLIER -118.87 164.37 15.53 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.882 0.372 . . . . 0.0 110.73 -179.881 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.622 HG23 ' HB3' ' A' ' 99' ' ' SER . 18.1 mt -137.89 112.68 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.613 -179.88 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -151.95 110.08 3.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.632 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.426 ' OD2' ' O ' ' A' ' 133' ' ' ASP . 12.4 p-10 -172.36 142.3 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.591 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -80.41 10.17 4.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.477 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.503 ' C ' ' H ' ' A' ' 135' ' ' LEU . 1.0 OUTLIER -121.07 81.93 36.44 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.497 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.524 ' O ' ' N ' ' A' ' 136' ' ' TYR . 52.0 Cg_exo -51.45 -4.76 0.1 OUTLIER 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 122.502 2.135 . . . . 0.0 112.325 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.503 ' H ' ' C ' ' A' ' 133' ' ' ASP . 2.6 mt -40.43 -22.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.677 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' A' ' 134' ' ' PRO . 0.0 OUTLIER -42.99 -33.45 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.584 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -56.06 -62.13 1.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.455 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -50.92 -32.67 21.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.275 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 136' ' ' TYR . . . -65.47 -41.0 93.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.431 179.854 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.54 ' O ' HD23 ' A' ' 140' ' ' LEU . 1.0 OUTLIER -57.72 -47.1 83.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.413 179.78 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.98 -41.39 64.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.542 179.89 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.0 -31.41 71.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.461 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.9 mt -69.68 -56.94 5.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.634 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 16.3 mtp85 -45.16 -50.59 11.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.577 -179.833 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -52.88 -33.25 49.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.583 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.84 -17.92 60.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.613 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 100.42 -23.66 35.01 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -52.62 155.98 2.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.331 . . . . 0.0 110.668 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -98.9 135.81 39.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.496 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 3.2 t -126.77 123.56 63.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.589 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.15 162.01 41.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.581 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 3.3 mm -89.8 134.06 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.495 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.551 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 9.3 ttt -54.32 118.73 4.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.603 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 29.5 p -102.02 163.81 12.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.67 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -47.08 -47.99 22.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.644 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -53.32 -56.84 13.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.513 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . 0.52 ' OE1' ' CE1' ' A' ' 125' ' ' PHE . 22.4 mt-10 -54.29 -35.23 62.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.562 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.551 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.7 OUTLIER -63.82 -39.93 95.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.526 179.916 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -59.0 -49.59 77.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . 0.523 ' CD2' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.63 -51.15 37.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.508 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.523 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 7.4 t -58.71 -23.53 59.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.682 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 162' ' ' TRP . . . . . 0.63 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 3.6 t-105 -72.46 -68.21 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.684 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . 0.63 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 1.3 p30 -64.34 -14.15 54.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.268 -179.465 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 99.9 m -86.61 -24.36 25.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.422 -179.396 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -121.08 15.96 11.58 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.551 0.215 . . . . 0.0 111.202 -179.588 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.528 ' C ' ' H ' ' A' ' 168' ' ' HIS . 92.1 t -134.46 127.47 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.748 179.44 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . 0.488 ' C ' ' H ' ' A' ' 169' ' ' GLN . 14.2 t70 -70.21 41.97 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.896 179.102 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.603 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.4 OUTLIER -54.12 -8.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.224 -179.953 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . 0.488 ' H ' ' C ' ' A' ' 167' ' ' ASP . 2.6 mt-30 56.9 3.64 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.821 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . 0.603 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 124.52 28.3 1.2 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 179.681 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . 0.541 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.0 OUTLIER -109.64 127.71 26.69 Favored Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.764 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -75.96 171.99 17.12 Favored 'Trans proline' 0 N--CA 1.493 1.47 0 C-N-CA 121.802 1.668 . . . . 0.0 112.162 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.5 ' CD2' ' O ' ' A' ' 173' ' ' PHE . 0.4 OUTLIER -126.45 116.71 21.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.423 179.867 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . 0.402 ' O ' ' CE1' ' A' ' 173' ' ' PHE . 12.3 mm-40 -82.77 152.73 66.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.23 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.13 155.78 63.93 Favored 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 122.142 1.895 . . . . 0.0 112.081 179.903 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 176' ' ' TRP . . . . . 0.462 ' O ' ' N ' ' A' ' 178' ' ' GLY . 14.8 p90 -100.0 142.8 30.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.552 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -49.59 91.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.533 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 176' ' ' TRP . . . 156.66 -35.46 0.58 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . 0.566 ' O ' HD23 ' A' ' 179' ' ' LEU . 1.0 OUTLIER -42.7 -43.28 3.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 110.514 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -55.38 -57.05 13.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.536 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -65.41 -60.64 2.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.488 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -44.37 -43.74 7.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.524 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 27.3 t -55.99 -51.55 67.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.67 -30.02 67.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.507 179.914 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -75.15 -64.91 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.511 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 4.0 mt -57.55 -59.99 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.498 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 3.6 t -52.9 -53.06 54.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.443 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -54.05 -25.66 32.26 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -68.87 -61.58 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 110.502 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.7 tp -55.47 -21.7 17.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.567 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -76.91 -40.02 48.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.609 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -68.21 -55.14 13.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.514 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . 0.456 HG23 ' N ' ' A' ' 194' ' ' LEU . 5.9 tt -56.99 -39.22 64.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.547 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . 0.456 ' N ' HG23 ' A' ' 193' ' ' ILE . 1.8 tp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.535 179.94 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.837 0.351 . . . . 0.0 110.695 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.506 ' CD1' ' N ' ' A' ' 12' ' ' LEU . 6.9 mp -94.69 168.8 10.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.247 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.2 mtm -63.29 132.91 53.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.106 179.555 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.63 144.0 66.37 Favored Pre-proline 0 CA--C 1.536 0.412 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.43 -179.428 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.401 ' O ' ' OG1' ' A' ' 19' ' ' THR . 72.1 Cg_exo -40.42 -55.13 2.0 Allowed 'Trans proline' 0 N--CA 1.491 1.354 0 C-N-CA 122.151 1.901 . . . . 0.0 112.284 179.684 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -58.57 -50.98 71.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.997 -179.561 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.3 mm -48.93 -55.33 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.679 -179.754 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 28.7 t80 -51.23 -57.68 8.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.618 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -55.35 -64.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.73 -179.729 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.516 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -46.44 -28.04 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.749 -179.843 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.429 ' OD1' ' CD1' ' A' ' 32' ' ' TYR . 2.9 t30 -83.19 -36.18 24.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.616 -179.901 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -100.76 16.76 23.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.618 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.767 ' H ' HD22 ' A' ' 23' ' ' ASN . 0.0 OUTLIER -63.6 101.15 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.556 179.915 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -41.35 132.48 2.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.587 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.43 25.89 7.15 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.08 177.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.809 0.337 . . . . 0.0 110.611 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.409 ' H ' ' CD ' ' A' ' 28' ' ' ARG . . . 166.7 56.62 0.03 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.793 ' HE ' ' H ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -155.64 150.11 26.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.647 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -56.58 82.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.538 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 28' ' ' ARG . 1.9 ttpt -157.1 26.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.589 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.82 HG22 ' CD2' ' A' ' 98' ' ' TRP . 11.1 p -47.16 135.38 10.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.76 -179.905 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.429 ' CD1' ' OD1' ' A' ' 21' ' ' ASN . 2.7 m-85 -108.56 144.97 35.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.668 179.878 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 34' ' ' CYS . 10.0 tp -139.73 112.19 7.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.326 -179.933 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.404 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -108.39 122.92 47.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.293 179.635 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.495 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 14.7 p90 -113.05 137.7 51.03 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.805 -179.653 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -123.11 154.95 37.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.473 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.641 HG21 ' CE1' ' A' ' 51' ' ' HIS . 54.7 t -127.63 122.03 58.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 179.862 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.759 ' OE2' HD12 ' A' ' 40' ' ' LEU . 3.1 tm-20 -131.55 132.59 44.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.351 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.427 ' O ' ' OE2' ' A' ' 38' ' ' GLU . 55.5 ttp180 -87.94 132.7 34.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.716 -179.729 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.759 HD12 ' OE2' ' A' ' 38' ' ' GLU . 1.2 mp -88.42 122.71 32.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.426 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.69 106.13 5.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.608 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.479 ' C ' ' H ' ' A' ' 44' ' ' THR . 88.8 m-20 49.16 52.12 14.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.69 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.17 -27.02 1.0 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.479 ' H ' ' C ' ' A' ' 42' ' ' ASN . 1.2 m -72.38 115.27 11.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.761 0.315 . . . . 0.0 110.461 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.92 111.27 23.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.706 ' O ' HG23 ' A' ' 46' ' ' VAL . 25.1 m -101.58 105.48 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.546 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -74.53 140.4 44.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.513 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.2 mmt -89.68 150.74 22.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.619 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -93.93 -50.15 5.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.547 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -103.1 76.33 1.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.458 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.641 ' CE1' HG21 ' A' ' 37' ' ' VAL . 55.1 t-80 -171.52 -3.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.516 -179.879 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.416 ' H ' ' H ' ' A' ' 51' ' ' HIS . 8.8 ptt180 -101.66 170.8 7.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.53 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -171.78 -178.46 42.12 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.502 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 8.1 p90 -152.14 146.18 25.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 0.0 110.749 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mp -133.67 178.41 6.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.458 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.629 ' C ' ' HB2' ' A' ' 71' ' ' ALA . 3.3 p80 -146.5 147.23 30.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.706 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.692 ' ND2' ' H ' ' A' ' 71' ' ' ALA . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.636 -179.905 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.478 ' NE2' HD12 ' A' ' 73' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.87 0.366 . . . . 0.0 110.782 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.692 ' H ' ' ND2' ' A' ' 57' ' ' ASN . . . -64.24 -31.03 72.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.633 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.434 ' OE1' ' SG ' ' A' ' 101' ' ' CYS . 15.5 mt-10 -42.39 -37.87 1.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.071 -179.684 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.478 HD12 ' NE2' ' A' ' 70' ' ' HIS . 1.1 mt -64.92 -55.81 17.04 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.385 -179.761 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -44.18 -42.59 6.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.403 -179.912 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.495 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 56.2 t80 -58.37 -56.27 24.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.126 179.704 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -53.94 -19.92 5.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.37 179.533 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.14 -46.76 27.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.588 -179.357 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 pp -84.85 -9.12 58.45 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.873 -179.59 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.421 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 2.6 t -55.97 -55.91 36.24 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.234 179.746 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 20.3 Cg_endo -61.45 -17.59 54.48 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 121.471 1.448 . . . . 0.0 111.913 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.4 p -64.86 -13.68 57.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.684 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.509 HD22 ' NE2' ' A' ' 51' ' ' HIS . 12.2 mt -82.37 -20.7 36.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.445 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.76 35.73 0.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 179.75 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.0 mt -60.22 149.55 32.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.379 179.848 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.01 162.71 52.55 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.571 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.85 -6.14 18.51 Favored 'Trans proline' 0 N--CA 1.493 1.5 0 C-N-CA 122.548 2.165 . . . . 0.0 112.008 179.832 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.549 ' HB1' HE22 ' A' ' 88' ' ' GLN . . . -41.01 -74.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.592 -179.854 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.549 HE22 ' HB1' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -106.77 167.4 9.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.557 179.959 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.3 mm -89.17 155.27 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.668 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -141.34 168.13 20.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.62 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -132.6 112.34 11.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.573 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.425 ' HB ' HD22 ' A' ' 122' ' ' LEU . 94.1 t -96.36 113.24 30.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.268 179.846 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.4 m -104.53 119.75 39.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.782 -179.819 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 27.6 m0 -100.61 131.07 46.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.002 0.43 . . . . 0.0 110.506 179.733 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.487 ' CG ' ' SG ' ' A' ' 161' ' ' CYS . 4.9 m-85 -118.58 103.14 9.44 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.308 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.42 140.94 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.76 -177.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.629 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 2.8 p -92.44 -22.79 19.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.93 179.106 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.82 ' CD2' HG22 ' A' ' 31' ' ' THR . 12.8 m95 -111.05 152.41 26.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.488 -179.628 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.675 ' OG ' HG23 ' A' ' 129' ' ' ILE . 0.6 OUTLIER -60.64 160.64 18.04 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.47 179.932 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -67.82 129.11 19.07 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.401 2.067 . . . . 0.0 112.175 179.788 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.541 ' O ' ' N ' ' A' ' 103' ' ' SER . 0.5 OUTLIER -79.79 -164.04 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.272 179.932 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.507 ' O ' ' N ' ' A' ' 104' ' ' TRP . 0.1 OUTLIER -40.24 91.91 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 121.464 0.65 . . . . 0.0 110.008 -179.829 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.868 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 0.6 OUTLIER -39.42 -23.87 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.041 -179.403 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.507 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -69.11 -35.54 76.55 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.585 -178.742 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -71.24 -62.45 3.5 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 120.302 -0.952 . . . . 0.0 110.841 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.53 -68.44 0.62 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.521 0.201 . . . . 0.0 111.472 -179.628 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.868 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -49.08 -32.78 10.32 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.27 -179.213 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.34 -62.95 4.04 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.472 ' OE2' HD21 ' A' ' 73' ' ' LEU . 3.1 mm-40 -53.65 -34.27 58.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.978 0.418 . . . . 0.0 110.019 179.7 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 69.8 t -71.07 -46.34 67.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.217 179.563 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -49.75 -59.12 4.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.949 179.732 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.54 -40.7 62.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.106 179.614 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 117' ' ' ASN . 7.9 t80 -54.17 -56.07 21.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.305 179.731 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.7 mp -59.89 -48.95 79.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.429 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -46.7 -29.29 1.82 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.17 179.823 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -110.36 -9.29 14.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.994 -179.837 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.576 ' O ' HG22 ' A' ' 120' ' ' VAL . 10.6 m120 -139.83 47.57 1.83 Allowed 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.008 -179.725 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.18 1.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.868 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.459 ' H ' ' C ' ' A' ' 117' ' ' ASN . 5.4 p80 -84.36 15.72 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.616 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 117' ' ' ASN . 5.2 m -136.63 143.83 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.539 179.685 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.72 148.6 22.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.169 179.944 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.425 HD22 ' HB ' ' A' ' 92' ' ' VAL . 0.2 OUTLIER -130.73 112.53 13.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.579 -179.664 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.494 ' NH1' ' OE1' ' A' ' 149' ' ' GLN . 4.5 mtm-85 -115.17 128.87 56.46 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.335 179.815 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 37.8 mm -105.76 125.39 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.967 -179.605 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -120.48 103.45 9.19 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.549 179.213 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -93.58 110.13 21.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.244 179.759 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.629 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -80.86 -55.79 4.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.874 -179.722 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.632 ' CA ' ' HE ' ' A' ' 128' ' ' ARG . 0.0 OUTLIER -118.98 151.67 37.76 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.771 0.319 . . . . 0.0 110.517 -179.944 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.675 HG23 ' OG ' ' A' ' 99' ' ' SER . 51.5 mt -114.13 109.1 27.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.607 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -142.42 115.45 8.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.507 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -169.06 158.21 8.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.605 -179.887 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.18 -24.04 32.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.522 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 135' ' ' LEU . 0.7 OUTLIER -135.02 73.31 66.04 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.389 179.942 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -49.82 77.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 123.002 2.468 . . . . 0.0 112.541 -179.85 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 133' ' ' ASP . 1.4 pp -93.22 4.83 53.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.385 179.747 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.512 ' CG ' ' N ' ' A' ' 137' ' ' LYS . 25.1 p90 -44.52 -46.18 9.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.564 -179.799 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.512 ' N ' ' CG ' ' A' ' 136' ' ' TYR . 0.8 OUTLIER -42.4 -42.81 3.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 0.0 110.182 179.82 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.07 -39.78 75.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.445 179.761 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.27 -45.24 94.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.538 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.523 ' HG ' HG21 ' A' ' 150' ' ' VAL . 7.7 mp -55.3 -55.03 36.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.494 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -64.9 -58.46 6.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.577 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -34.98 12.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.645 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.527 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 40.6 tp -81.43 -34.16 31.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.493 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 12.1 ttp85 -51.62 -40.96 60.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.518 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -71.16 3.5 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.619 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 143' ' ' LEU . . . -99.36 -24.07 14.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.659 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 97.62 24.83 11.49 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.479 ' HB3' ' HG ' ' A' ' 143' ' ' LEU . . . -97.63 177.18 5.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.681 0.277 . . . . 0.0 110.582 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . 0.494 ' OE1' ' NH1' ' A' ' 123' ' ' ARG . 11.0 mt-30 -123.1 136.2 54.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.54 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . 0.523 HG21 ' HG ' ' A' ' 140' ' ' LEU . 23.0 m -132.03 128.7 59.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.639 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.5 t -153.27 162.04 41.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.547 179.904 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.1 tp -88.29 142.45 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.438 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.586 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 35.4 ttm -44.2 151.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.575 -179.913 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 6.0 p -132.31 171.17 14.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.579 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -64.63 -53.55 45.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.666 -179.912 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -51.54 -49.16 62.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.501 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -61.13 -36.24 79.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.645 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.586 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.1 OUTLIER -56.87 -40.98 77.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.715 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.87 -42.71 80.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.825 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . 0.489 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.5 OUTLIER -67.49 -57.93 5.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.702 -179.913 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.489 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 1.2 t -56.32 -23.59 38.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.906 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 162' ' ' TRP . . . . . 0.621 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.4 t-105 -71.76 -70.42 0.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.939 -179.62 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . 0.621 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.2 OUTLIER -61.86 -14.4 33.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.277 -179.52 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 96.8 m -83.47 -28.22 28.9 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.21 -179.533 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -121.07 18.67 11.65 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.129 -179.619 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.62 HG21 ' CE3' ' A' ' 162' ' ' TRP . 74.9 t -130.58 145.65 35.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.951 179.665 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -73.27 35.48 0.08 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 178.701 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.717 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 1.1 t60 -43.38 -60.45 1.71 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.947 -179.849 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . 0.627 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 25.8 mt-30 42.67 15.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.08 179.633 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . 0.717 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 143.54 0.9 1.09 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 179.88 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . 0.62 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 0.9 OUTLIER -113.69 88.54 13.95 Favored Pre-proline 0 CA--C 1.533 0.295 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.797 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -78.59 143.92 19.43 Favored 'Trans proline' 0 C--N 1.314 -1.276 0 C-N-CA 122.074 1.849 . . . . 0.0 112.407 -179.205 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.507 ' CE1' ' O ' ' A' ' 174' ' ' GLN . 1.1 t80 -86.07 125.85 33.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.622 -179.891 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . 0.507 ' O ' ' CE1' ' A' ' 173' ' ' PHE . 22.4 mt-30 -93.91 156.31 39.41 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -70.06 162.9 40.48 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.324 2.016 . . . . 0.0 112.127 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 176' ' ' TRP . . . . . 0.434 ' CD1' ' C ' ' A' ' 176' ' ' TRP . 12.3 p90 -120.5 152.93 37.36 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.41 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . 0.5 ' N ' ' OD1' ' A' ' 177' ' ' ASP . 0.8 OUTLIER -57.84 91.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.506 -179.942 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 139.27 -14.12 3.26 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.2 tt -54.11 -37.7 64.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.32 . . . . 0.0 110.585 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.94 -57.31 3.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.619 -179.89 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -50.41 -50.51 51.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.644 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -54.8 -62.97 1.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.628 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 3.4 m -49.07 -45.6 43.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.572 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -62.65 -31.61 72.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.621 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -70.32 -65.1 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.581 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 2.6 mt -47.34 -48.29 25.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.589 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 10.8 p -53.37 -50.75 64.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.624 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -50.01 -41.95 38.28 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 189' ' ' ARG . . . . . 0.49 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 0.0 OUTLIER -61.82 -61.56 2.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.546 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.1 tp -49.34 -51.22 35.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.459 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 13.3 mmt85 -51.47 -34.15 34.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.44 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 192' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -63.08 -48.84 76.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.479 179.903 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . 0.525 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -60.17 -36.81 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.476 179.915 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.568 179.953 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.668 ' C ' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.736 0.303 . . . . 0.0 110.402 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.896 ' N ' HD23 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -104.34 173.21 6.4 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -179.636 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.3 ptp -61.9 162.89 8.34 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.363 -179.294 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.79 157.57 60.42 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.312 -178.843 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.437 ' O ' ' OG1' ' A' ' 19' ' ' THR . 53.5 Cg_exo -44.04 -56.42 2.49 Favored 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 122.564 2.176 . . . . 0.0 112.72 179.568 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -52.02 60.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.082 -179.263 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.2 mm -48.79 -42.95 13.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.624 -179.714 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -70.95 -60.92 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -47.92 -57.96 5.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.422 -179.933 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.427 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 2.2 t -52.1 -36.24 50.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.479 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.623 ' ND2' ' CG ' ' A' ' 32' ' ' TYR . 9.0 t30 -80.66 -9.1 59.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.533 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -133.23 24.52 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.682 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.507 ' N ' ' O ' ' A' ' 19' ' ' THR . 14.8 p-10 -65.09 109.78 2.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.506 179.887 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.518 HD22 ' CD2' ' A' ' 182' ' ' HIS . 1.4 m-20 -42.34 128.06 3.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.514 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.66 108.48 0.54 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -147.12 -166.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 110.637 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -177.59 -14.79 0.02 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.47 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 0.0 OUTLIER -176.36 120.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 0.0 110.578 179.949 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.47 ' CD2' ' O ' ' A' ' 28' ' ' ARG . 32.9 m-70 -164.47 -82.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.505 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -179.74 104.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.519 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.752 HG22 ' CG ' ' A' ' 98' ' ' TRP . 35.6 p -47.17 139.89 5.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.878 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.623 ' CG ' ' ND2' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -120.6 149.09 43.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.403 179.908 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.0 tp -143.27 111.84 6.38 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.659 -179.801 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.21 115.72 31.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.998 179.271 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.425 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 28.9 p90 -108.64 148.9 29.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.002 0.43 . . . . 0.0 111.276 -179.316 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -135.95 160.04 39.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.1 179.403 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.736 HG21 ' ND1' ' A' ' 51' ' ' HIS . 11.6 t -126.71 126.45 68.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.571 -179.891 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -139.61 134.05 31.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.695 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -103.05 142.13 34.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.331 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 mp -101.23 140.57 35.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.714 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -146.44 100.46 3.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.467 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 57.36 35.39 25.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.549 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.47 -5.67 82.49 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.3 m -90.91 102.53 15.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.765 0.316 . . . . 0.0 110.585 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 75.0 m -89.5 107.45 19.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.594 179.935 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 40.7 t -100.13 125.06 53.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.643 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.33 137.8 32.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.494 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.8 mtm -101.4 136.05 41.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.702 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.21 -50.35 8.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.608 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.66 65.91 9.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.352 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.852 ' HE2' HD22 ' A' ' 82' ' ' LEU . 5.0 t-80 -170.29 -9.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.437 -179.623 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.2 170.94 7.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.746 -179.88 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.425 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . 179.71 -172.24 43.93 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 11.3 p90 -147.5 142.41 26.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.788 0.328 . . . . 0.0 110.786 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.7 mt -128.47 178.44 6.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.517 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -149.33 161.82 41.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.504 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.5 t30 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.611 179.99 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.611 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.811 0.339 . . . . 0.0 110.553 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.56 -28.96 67.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.433 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -62.33 -50.48 71.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.612 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.44 HD11 ' CE1' ' A' ' 70' ' ' HIS . 22.5 mt -63.7 -51.82 63.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.585 -179.921 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.8 ttt85 -55.2 -36.22 65.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.666 -179.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -70.91 -50.64 32.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.715 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.6 tp -64.59 -19.73 65.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -33.15 69.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.289 -179.495 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.664 ' C ' HD12 ' A' ' 78' ' ' LEU . 3.7 pp -101.39 8.06 42.39 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.921 -0.311 . . . . 0.0 111.046 -179.597 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.569 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -63.58 -41.58 67.04 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.808 179.854 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 27.4 Cg_exo -59.08 -17.69 39.62 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.212 1.941 . . . . 0.0 111.774 179.877 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.4 p -62.56 -9.01 7.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.675 -179.901 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.852 HD22 ' HE2' ' A' ' 51' ' ' HIS . 20.3 mt -95.26 -46.16 6.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.287 -179.824 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 72.36 47.5 0.27 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.705 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.402 HD13 ' CD2' ' A' ' 90' ' ' TYR . 17.2 mt -64.6 127.71 32.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.314 179.714 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.31 160.48 27.43 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.634 -179.777 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -71.51 -11.97 28.84 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.611 2.208 . . . . 0.0 112.09 179.832 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.515 ' O ' ' NE2' ' A' ' 88' ' ' GLN . . . -40.82 -35.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.616 -179.871 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.515 ' NE2' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -138.5 171.39 14.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.481 -179.957 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.737 HD12 ' N ' ' A' ' 89' ' ' ILE . 1.7 mp -90.19 147.21 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.419 179.929 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.402 ' CD2' HD13 ' A' ' 84' ' ' LEU . 36.3 m-85 -124.37 156.72 36.57 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.51 179.904 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -146.55 102.07 3.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.538 -179.853 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.3 t -92.68 133.42 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.459 179.932 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.56 117.8 34.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.571 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.571 ' CD1' HD21 ' A' ' 122' ' ' LEU . 17.8 m0 -100.19 132.61 45.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.062 0.458 . . . . 0.0 110.414 179.838 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.582 ' CE2' ' SG ' ' A' ' 161' ' ' CYS . 49.7 m-85 -126.0 103.02 7.52 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 178.555 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.08 143.21 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.086 -177.871 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.67 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 6.3 p -95.89 -26.96 15.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.473 178.889 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.752 ' CG ' HG22 ' A' ' 31' ' ' THR . 13.6 m95 -111.99 132.06 55.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.992 179.702 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.9 OUTLIER -57.34 141.73 77.27 Favored Pre-proline 0 CA--C 1.537 0.475 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.42 -179.559 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.423 ' O ' ' O ' ' A' ' 99' ' ' SER . 50.3 Cg_exo -43.27 173.06 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.387 0 C-N-CA 122.027 1.818 . . . . 0.0 112.384 179.733 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.572 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 26.3 p -107.04 -119.41 0.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.994 179.454 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.572 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.2 OUTLIER -70.19 108.54 4.19 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.87 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.712 ' OG ' ' HB2' ' A' ' 139' ' ' ALA . 71.7 m -40.74 -27.23 0.05 Allowed 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.159 -179.426 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.406 ' N ' ' O ' ' A' ' 102' ' ' PHE . 4.1 t90 -85.57 -23.83 27.47 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.783 -179.418 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.36 -63.15 1.59 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 179.784 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.43 -69.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.734 0.302 . . . . 0.0 111.018 -179.876 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -59.3 -42.12 90.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.845 -179.551 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -53.5 -45.01 67.52 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.868 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -69.43 -26.2 64.49 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.752 -179.926 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 66.6 t -81.97 -63.57 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.94 -36.0 7.15 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.658 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.73 -47.35 63.38 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.411 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -45.79 -39.7 8.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.022 179.401 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.458 ' C ' ' N ' ' A' ' 116' ' ' GLU . 10.4 mp -72.45 -51.15 21.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.143 179.562 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -46.74 -17.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.026 179.577 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.458 ' N ' ' C ' ' A' ' 114' ' ' LEU . 2.2 tp10 -106.82 -32.4 7.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.71 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.553 ' O ' HG12 ' A' ' 120' ' ' VAL . 5.1 m120 -138.28 59.35 1.65 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.769 -179.788 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.35 1.55 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.055 -179.874 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.489 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -76.23 5.75 6.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.762 0.315 . . . . 0.0 110.638 -179.944 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 117' ' ' ASN . 13.1 p -130.94 132.08 63.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.547 179.791 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -91.6 144.0 25.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.4 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.571 HD21 ' CD1' ' A' ' 94' ' ' TRP . 0.8 OUTLIER -131.44 122.98 27.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.887 -179.833 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.455 ' C ' HD12 ' A' ' 124' ' ' ILE . 8.5 mtp85 -112.26 123.73 50.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.23 179.626 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.477 ' N ' HD12 ' A' ' 124' ' ' ILE . 1.7 mp -105.56 127.47 60.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.653 -179.609 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -121.52 98.22 5.87 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.604 179.786 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.51 111.82 11.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.248 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.67 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -85.39 -46.95 10.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.647 -179.801 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.491 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -132.14 142.02 49.34 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.845 0.355 . . . . 0.0 110.658 179.948 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.445 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 0.3 OUTLIER -98.41 132.89 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.529 179.944 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.445 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 0.2 OUTLIER 177.77 116.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.658 179.993 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.475 ' C ' ' H ' ' A' ' 133' ' ' ASP . 0.4 OUTLIER -177.94 136.32 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.511 179.948 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -70.32 10.1 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.527 179.911 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.501 ' C ' ' H ' ' A' ' 135' ' ' LEU . 21.6 m-20 -120.63 81.12 32.11 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.663 -179.932 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.505 ' C ' ' H ' ' A' ' 136' ' ' TYR . 51.8 Cg_exo -49.47 -6.69 0.07 OUTLIER 'Trans proline' 0 N--CA 1.493 1.468 0 C-N-CA 122.476 2.118 . . . . 0.0 112.273 -179.858 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.501 ' H ' ' C ' ' A' ' 133' ' ' ASP . 3.4 mp -54.9 -5.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.651 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.505 ' H ' ' C ' ' A' ' 134' ' ' PRO . 44.9 t80 -41.95 -32.32 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.894 0.378 . . . . 0.0 110.556 -179.922 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -68.46 -61.55 1.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.352 179.81 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -47.88 -30.29 4.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.389 179.732 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.712 ' HB2' ' OG ' ' A' ' 103' ' ' SER . . . -69.16 -46.76 66.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.306 179.881 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.0 tp -52.01 -40.35 60.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.381 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -77.79 -42.2 34.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.479 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.76 -27.21 62.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.503 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 146' ' ' ALA . 6.4 mt -81.39 -49.23 10.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.672 -179.899 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -45.34 -43.05 10.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.542 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -66.63 -23.44 66.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.526 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -82.51 -22.84 34.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.529 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 101.65 -15.5 57.12 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -58.26 156.02 10.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.855 0.36 . . . . 0.0 110.57 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -97.14 134.77 40.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.622 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -132.03 115.2 26.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.552 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.4 t -153.07 162.28 41.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.619 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.486 HD12 ' N ' ' A' ' 152' ' ' ILE . 1.6 mp -84.6 133.88 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.41 179.936 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.541 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 2.6 ttt -41.23 130.59 2.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.728 -179.845 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.28 164.56 11.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.642 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . 0.429 ' C ' ' CD1' ' A' ' 155' ' ' TYR . 29.4 t80 -52.9 -52.13 58.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.711 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.88 -61.04 2.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.759 -179.843 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -56.23 -48.47 76.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.705 -179.848 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.541 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 0.2 OUTLIER -41.49 -38.65 1.34 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.797 -179.873 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -74.54 -60.89 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.796 -179.614 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . 0.434 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -47.3 -49.55 23.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.844 -179.73 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.582 ' SG ' ' CE2' ' A' ' 95' ' ' PHE . 0.8 OUTLIER -65.16 -50.29 66.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.811 -179.766 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 162' ' ' TRP . . . . . 0.618 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 2.8 t-105 -43.64 -65.66 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 -179.568 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . 0.618 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -62.09 -49.67 75.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.125 -179.511 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 96.9 m -55.02 -16.86 3.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.518 -179.232 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -121.28 18.65 11.48 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.562 -179.543 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.709 ' C ' HD12 ' A' ' 12' ' ' LEU . 24.8 t -146.18 138.9 20.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.115 179.649 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.85 39.54 0.07 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.155 0.502 . . . . 0.0 109.688 178.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.561 ' CD2' ' N ' ' A' ' 169' ' ' GLN . 32.6 p-80 -44.74 -51.35 9.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.468 -179.703 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . 0.561 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 43.9 mm-40 40.34 32.6 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.533 -179.904 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 142.0 0.35 1.48 Allowed Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . 0.431 ' H ' ' HB2' ' A' ' 168' ' ' HIS . 6.2 m -115.19 82.55 9.12 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.578 0.189 . . . . 0.0 110.589 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -78.0 152.86 28.48 Favored 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.211 1.941 . . . . 0.0 112.357 -179.491 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -62.72 149.7 43.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.965 -179.699 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -140.99 148.09 50.63 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.026 179.658 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -73.14 134.04 20.55 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 122.046 1.831 . . . . 0.0 112.127 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -97.17 -173.69 2.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.382 179.781 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -88.14 86.73 7.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.584 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 146.24 -9.95 1.52 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.0 tt -51.12 -30.39 16.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 110.465 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -76.58 -61.4 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.553 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -51.92 -52.37 50.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.487 -179.869 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 182' ' ' HIS . . . . . 0.518 ' CD2' HD22 ' A' ' 24' ' ' ASN . 45.0 m-70 -53.47 -56.06 20.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.536 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 38.7 t -50.72 -49.86 56.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.577 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -56.97 -33.69 67.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.52 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -67.85 -63.46 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.558 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 186' ' ' LEU . 9.6 mp -57.26 -59.1 5.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.556 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 1.5 t -50.0 -36.11 27.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.526 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -62.45 -45.39 96.0 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -55.29 -57.76 10.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 110.531 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.414 HD13 ' CD1' ' A' ' 152' ' ' ILE . 2.0 tp -48.96 -49.06 42.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.458 179.929 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -45.74 -49.3 14.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.566 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -56.2 -52.07 65.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.555 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 77.0 mt -60.1 -63.19 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.516 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.517 -179.999 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.783 0.325 . . . . 0.0 110.527 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.478 ' CD1' ' N ' ' A' ' 12' ' ' LEU . 6.2 mp -98.56 172.98 7.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.149 -179.895 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.4 mtm -63.04 132.13 50.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.173 179.815 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.12 143.16 79.23 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.349 -179.603 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.432 ' O ' ' OG1' ' A' ' 19' ' ' THR . 87.0 Cg_exo -39.51 -55.46 1.58 Allowed 'Trans proline' 0 N--CA 1.489 1.25 0 C-N-CA 122.148 1.898 . . . . 0.0 112.386 179.775 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -57.97 -54.27 48.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.723 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.0 mm -48.88 -43.16 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.755 -179.768 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -66.84 -61.08 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -53.75 -64.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.679 -179.854 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 t -42.43 -61.19 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.733 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.453 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 22.1 t-20 -50.73 -36.73 37.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.655 -179.838 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -100.87 16.5 24.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.454 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' A' ' 19' ' ' THR . 1.1 t-20 -42.25 112.78 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.51 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -40.48 93.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.586 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 23' ' ' ASN . . . 106.42 108.67 3.32 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.918 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.452 ' C ' HD12 ' A' ' 26' ' ' ILE . 1.2 pp -133.82 -174.88 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-O 120.706 0.288 . . . . 0.0 110.511 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.92 16.26 0.03 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.778 ' NE ' ' H ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -103.18 144.41 31.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.469 179.978 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -66.62 79.59 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.452 179.866 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -163.33 39.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.637 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.731 HG22 ' CD2' ' A' ' 98' ' ' TRP . 1.7 p -47.02 157.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.055 -179.888 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.453 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.4 OUTLIER -127.14 143.93 51.15 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.386 179.66 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.62 HD23 ' N ' ' A' ' 34' ' ' CYS . 5.1 tt -137.06 118.09 14.32 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.318 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.62 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -107.19 122.08 45.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.575 179.919 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 22.7 p90 -109.17 141.83 40.83 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 -179.772 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.429 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 1.9 tm-20 -144.26 129.16 18.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.19 179.804 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.429 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 0.5 OUTLIER -98.36 137.47 25.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.095 0.474 . . . . 0.0 110.94 -179.698 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.43 ' OE1' ' OG1' ' A' ' 93' ' ' THR . 2.5 mp0 -135.75 129.13 32.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.176 179.737 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -94.22 140.65 29.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.623 -179.761 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.72 HD12 HG21 ' A' ' 89' ' ' ILE . 59.5 mt -100.12 149.4 23.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.559 179.803 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.88 104.56 3.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.616 -179.874 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 55.18 24.94 6.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.59 179.85 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.91 -24.0 31.98 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 89.3 m -68.74 127.89 34.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 110.516 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.59 118.99 32.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.641 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.1 t -121.59 102.66 12.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.47 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -77.17 146.32 37.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.596 -179.84 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -92.15 144.84 25.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.754 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.64 -50.39 5.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.453 179.862 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.08 66.02 7.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.173 179.608 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.782 ' NE2' HD12 ' A' ' 82' ' ' LEU . 57.8 t-80 -171.17 13.2 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.403 -179.418 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -100.98 143.02 31.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.598 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -161.89 172.46 38.05 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.512 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 1.9 p90 -145.59 147.26 31.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.845 0.355 . . . . 0.0 110.645 -179.92 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.427 HD22 ' O ' ' A' ' 54' ' ' PHE . 2.2 mm? -119.21 178.4 4.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.322 179.896 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 40.4 p-80 -130.88 153.08 49.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.577 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.728 -179.972 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.622 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.098 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.16 -39.3 1.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.553 -179.554 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -63.97 -39.31 93.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.482 179.808 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 70' ' ' HIS . 74.2 mt -72.2 -40.47 67.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.653 -179.875 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -49.98 62.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.556 -179.86 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.419 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 14.4 t80 -66.27 -37.15 84.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.575 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.71 -19.92 62.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.465 179.888 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -78.24 -23.36 47.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.246 -179.552 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 pp -114.31 9.04 16.88 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.721 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.578 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.1 t -60.05 -41.15 83.29 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.647 179.74 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 14.8 Cg_exo -66.14 -17.32 54.61 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.415 2.077 . . . . 0.0 111.938 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.6 t -59.18 -27.6 65.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.606 -179.933 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.782 HD12 ' NE2' ' A' ' 51' ' ' HIS . 3.6 mm? -71.85 -39.32 69.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.473 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.482 ' CB ' ' O ' ' A' ' 82' ' ' LEU . 3.8 tt0 80.61 45.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.967 -179.37 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.5 mt -38.08 155.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.264 -179.687 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 0.6 OUTLIER -122.54 85.44 48.51 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.106 179.822 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -46.88 -8.71 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 122.3 2.0 . . . . 0.0 112.47 -179.683 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 85' ' ' ASP . . . -45.57 -23.77 0.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.53 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.52 ' O ' ' NE2' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -142.03 -170.65 3.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.704 -179.965 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.72 HG21 HD12 ' A' ' 40' ' ' LEU . 1.7 mp -90.77 144.07 9.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.588 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.444 ' CD2' ' NE2' ' A' ' 88' ' ' GLN . 2.7 m-85 -133.55 161.3 34.99 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.592 179.658 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -142.73 109.68 5.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.434 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.503 ' O ' HD23 ' A' ' 122' ' ' LEU . 5.9 t -88.95 116.12 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.467 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.43 ' OG1' ' OE1' ' A' ' 38' ' ' GLU . 1.3 m -92.55 116.4 28.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.601 -179.872 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 15.7 m0 -100.34 133.14 45.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.455 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.548 ' CZ ' ' SG ' ' A' ' 161' ' ' CYS . 67.6 m-85 -126.18 102.87 7.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 178.675 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.59 140.53 26.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.012 0.434 . . . . 0.0 111.842 -178.22 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.664 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 1.7 p -94.05 -28.95 15.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.923 179.102 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.731 ' CD2' HG22 ' A' ' 31' ' ' THR . 17.8 m95 -112.23 132.92 54.65 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.46 179.815 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.13 162.32 0.51 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.249 179.507 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -67.4 144.52 67.93 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.537 2.158 . . . . 0.0 112.233 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.43 -83.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.55 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -101.14 93.16 5.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.303 0.573 . . . . 0.0 109.483 179.431 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.496 ' HB3' ' HB2' ' A' ' 139' ' ' ALA . 21.3 p -45.06 -27.72 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.14 -179.203 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -85.55 -22.13 28.24 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.651 -0.419 . . . . 0.0 111.417 -179.369 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.37 -63.58 1.56 Allowed Glycine 0 CA--C 1.526 0.724 0 C-N-CA 120.362 -0.923 . . . . 0.0 111.182 -179.695 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.04 -69.05 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.912 -179.855 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -55.07 -27.38 44.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.461 -179.831 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.6 -54.25 27.01 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 109.89 -1.284 . . . . 0.0 109.89 179.201 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -55.3 -31.52 61.69 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.151 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 53.0 t -72.05 -49.47 43.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.922 179.317 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -46.24 -58.89 3.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.887 179.501 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.18 -43.34 64.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.084 179.536 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.401 ' O ' ' N ' ' A' ' 117' ' ' ASN . 2.9 t80 -48.19 -55.02 11.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.331 179.679 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.445 ' C ' ' N ' ' A' ' 116' ' ' GLU . 10.6 mp -60.86 -56.69 18.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.373 179.895 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -46.55 -17.6 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.221 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.445 ' N ' ' C ' ' A' ' 114' ' ' LEU . 37.5 tt0 -110.36 -21.46 12.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.936 -179.891 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.467 ' C ' ' N ' ' A' ' 119' ' ' HIS . 21.0 m120 -132.7 46.1 2.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.941 -179.638 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.9 t -45.65 -16.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.666 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.593 ' CD2' HG23 ' A' ' 120' ' ' VAL . 0.0 OUTLIER -76.21 6.63 5.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.315 179.857 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.593 HG23 ' CD2' ' A' ' 119' ' ' HIS . 39.9 t -125.0 122.25 62.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.299 179.766 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -91.27 148.38 22.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.309 179.944 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 92' ' ' VAL . 0.8 OUTLIER -131.3 128.11 39.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.075 -179.537 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -118.52 117.62 29.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.893 179.262 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 5.5 mt -105.9 127.65 60.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.046 -179.33 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -123.57 107.67 11.79 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.356 179.661 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -83.15 112.29 19.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.492 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.664 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -82.58 -46.54 13.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.433 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.667 ' NH2' HD11 ' A' ' 186' ' ' LEU . 0.0 OUTLIER -132.11 144.61 50.83 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.491 179.773 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.486 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 0.2 OUTLIER -104.29 112.21 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.624 -179.806 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.486 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 24.5 m-85 -155.6 123.51 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.666 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 1.0 OUTLIER -162.86 -173.7 3.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.473 -179.942 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -90.56 -66.04 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.558 -179.903 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.491 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.1 OUTLIER -96.81 161.15 27.48 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.44 -179.886 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -69.8 25.16 0.18 Allowed 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.512 2.141 . . . . 0.0 112.088 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.491 ' H ' ' C ' ' A' ' 133' ' ' ASP . 6.1 mt -62.77 -7.26 4.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.559 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.553 ' CG ' ' N ' ' A' ' 137' ' ' LYS . 2.8 p90 -57.45 -39.73 76.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.627 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.553 ' N ' ' CG ' ' A' ' 136' ' ' TYR . 18.7 tttt -70.04 -43.32 71.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 -179.89 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -52.91 -35.05 57.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.531 -179.863 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.496 ' HB2' ' HB3' ' A' ' 103' ' ' SER . . . -72.43 -50.99 22.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.608 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.9 mt -44.55 -48.47 10.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.39 179.871 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -70.52 -53.59 15.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.466 179.809 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -48.16 -28.55 3.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.513 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.698 HD12 ' HB3' ' A' ' 148' ' ' ALA . 1.8 mm? -74.08 -54.12 8.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.425 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.84 -34.71 2.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.535 179.926 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.56 -25.28 49.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.59 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -81.29 -23.94 37.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.621 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 84.61 76.96 1.18 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . 0.698 ' HB3' HD12 ' A' ' 143' ' ' LEU . . . -150.36 172.65 15.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.765 0.317 . . . . 0.0 110.49 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 34.8 tp60 -100.47 112.28 24.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.723 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 2.6 m -119.1 113.74 42.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.43 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 74.1 p -153.23 162.34 41.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.828 -179.789 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.2 tp -80.07 134.56 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.326 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 20.7 mmm -41.23 130.26 2.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.744 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.34 159.33 16.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.434 179.867 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -50.77 -48.62 59.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.58 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.88 -60.74 2.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.594 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.12 -57.76 4.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.574 -179.919 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -42.6 -47.03 5.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.608 -179.93 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -53.79 -48.55 69.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.743 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . 0.611 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.41 -57.41 5.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.719 -179.767 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.611 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 0.1 OUTLIER -53.71 -23.49 11.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.654 -179.924 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 162' ' ' TRP . . . . . 0.613 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 6.5 t-105 -74.24 -70.55 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 -179.742 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . 0.613 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -62.69 -14.17 40.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.093 -179.609 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 98.8 m -84.42 -27.3 27.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.1 -179.665 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . 0.59 ' CE1' ' SG ' ' A' ' 34' ' ' CYS . 47.8 m-85 -121.33 18.75 11.43 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.259 -179.584 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.579 HG21 ' CE3' ' A' ' 162' ' ' TRP . 70.7 t -129.47 145.89 35.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.785 0.326 . . . . 0.0 111.171 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . 0.4 ' OD1' ' OE1' ' A' ' 169' ' ' GLN . 44.6 t0 -75.97 37.91 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.241 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.749 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.6 OUTLIER -37.86 -59.11 0.86 Allowed 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.698 -179.331 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . 0.628 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 2.2 mp0 40.47 18.89 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.003 -179.844 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . 0.749 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 142.64 -0.13 1.4 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 179.736 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . 0.612 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 1.0 OUTLIER -115.0 87.01 14.45 Favored Pre-proline 0 CA--C 1.531 0.236 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.686 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -80.82 161.9 21.25 Favored 'Trans proline' 0 C--N 1.314 -1.275 0 C-N-CA 122.262 1.975 . . . . 0.0 112.869 -178.747 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -52.2 139.74 22.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.586 179.872 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -122.33 84.64 47.01 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.71 -179.786 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -49.67 134.06 33.29 Favored 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.247 1.964 . . . . 0.0 112.098 -179.865 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 176' ' ' TRP . . . . . 0.472 ' O ' ' N ' ' A' ' 178' ' ' GLY . 8.4 p90 -102.44 144.87 30.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.569 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 177' ' ' ASP . 0.9 OUTLIER -53.38 87.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.576 -179.915 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 176' ' ' TRP . . . 158.8 -29.87 0.44 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . 0.406 ' CD1' ' CZ2' ' A' ' 176' ' ' TRP . 1.8 tp -50.33 -29.78 10.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 110.55 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -71.46 -62.3 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.578 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -54.36 -50.9 66.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.597 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -51.14 -59.72 3.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.547 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 25.9 t -52.86 -33.25 48.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.564 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -60.76 -52.81 63.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.565 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -55.33 -54.36 44.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.593 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . 0.667 HD11 ' NH2' ' A' ' 128' ' ' ARG . 46.3 mt -55.45 -50.23 70.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.526 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 20.1 p -59.24 -37.73 78.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.523 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -53.6 -49.0 59.31 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 8.5 mtm-85 -61.92 -54.05 47.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.602 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.73 -44.91 6.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.367 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -65.33 -38.15 89.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.591 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -52.76 -42.12 64.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.677 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . 0.553 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -70.65 -46.92 67.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.667 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 179.959 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.462 ' C ' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.737 0.303 . . . . 0.0 110.416 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.872 HD22 ' N ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -108.66 161.34 15.18 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.99 -179.9 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -78.4 166.14 22.98 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.278 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -83.12 147.85 54.97 Favored Pre-proline 0 C--N 1.328 -0.357 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.492 -179.697 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.424 ' O ' ' OG1' ' A' ' 19' ' ' THR . 75.2 Cg_exo -40.21 -53.19 2.65 Favored 'Trans proline' 0 N--CA 1.489 1.22 0 C-N-CA 122.219 1.946 . . . . 0.0 112.102 179.661 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.488 ' ND1' ' OG ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -60.8 -52.47 64.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.049 -179.631 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.403 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 2.9 mm -48.65 -33.73 5.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.513 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -82.42 -61.15 1.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.716 -179.899 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.6 OUTLIER -50.33 -26.5 4.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.599 -179.875 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.488 ' OG ' ' ND1' ' A' ' 16' ' ' HIS . 42.7 m -78.37 -53.52 7.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.483 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.532 HD22 HH22 ' A' ' 28' ' ' ARG . 20.9 m120 -69.03 0.36 4.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.488 -179.935 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -133.1 8.75 4.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.467 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 24' ' ' ASN . 0.1 OUTLIER -77.13 115.93 17.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.62 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.584 ' ND2' ' CE2' ' A' ' 176' ' ' TRP . 0.2 OUTLIER -42.24 165.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.554 179.962 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.06 58.26 11.31 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.9 pt -72.01 -177.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 110.571 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.92 31.34 0.02 OUTLIER Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.532 HH22 HD22 ' A' ' 21' ' ' ASN . 0.2 OUTLIER -137.29 169.39 17.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.714 0.292 . . . . 0.0 110.444 -179.95 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -112.34 84.36 1.96 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.539 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -171.58 48.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.597 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.9 t -46.98 162.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.24 -179.83 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.52 ' CE1' ' OD1' ' A' ' 21' ' ' ASN . 1.0 OUTLIER -115.24 145.03 42.83 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.37 179.67 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.636 HD23 ' C ' ' A' ' 33' ' ' LEU . 5.7 tt -137.64 119.68 15.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.56 -179.726 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.612 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -113.67 133.9 55.05 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.317 179.626 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.569 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 30.4 p90 -122.8 134.68 54.41 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.728 -179.802 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -129.7 137.51 50.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.258 179.74 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -95.84 136.02 28.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 121.012 0.434 . . . . 0.0 110.545 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -140.3 118.07 11.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.521 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.585 HH12 ' CB ' ' A' ' 88' ' ' GLN . 11.6 ttm-85 -79.86 132.24 36.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.259 179.727 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.8 mt -98.73 121.72 41.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.507 -179.761 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -138.67 102.42 4.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.523 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 t30 61.69 25.23 15.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.556 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.62 -17.29 58.6 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.8 m -75.73 117.03 17.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.34 . . . . 0.0 110.581 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.03 108.82 21.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.646 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.0 t -101.23 111.6 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.548 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.412 ' NZ ' ' CB ' ' A' ' 47' ' ' LYS . 6.0 ttpm? -84.95 137.92 32.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.582 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.7 mtt -97.99 154.74 17.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.707 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.1 -50.38 4.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.853 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -91.83 70.95 5.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.598 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.518 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 39.3 t-80 -173.76 -13.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.453 -179.735 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.411 ' H ' ' HG2' ' A' ' 52' ' ' ARG . 36.0 ptt85 -100.82 170.79 8.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.601 -179.909 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -172.2 -163.38 25.98 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.457 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 12.4 p90 -155.66 163.16 40.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.657 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 mt -146.32 177.72 8.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.511 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.424 ' ND1' ' N ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -140.29 148.91 42.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.586 179.967 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 25.5 t30 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.602 -179.896 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.596 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.814 0.34 . . . . 0.0 110.652 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -47.77 -22.96 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.452 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -63.16 -61.88 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.476 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.7 mp -54.86 -47.2 74.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.489 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -58.64 -40.06 82.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.542 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.569 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 41.9 t80 -73.97 -26.48 60.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.654 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.5 mt -70.65 -26.85 63.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.932 0.396 . . . . 0.0 110.196 179.73 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -74.44 -17.9 60.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.501 179.812 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.7 mt -79.72 -8.45 59.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.653 -179.939 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.2 t -46.22 -60.05 4.11 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.106 -179.833 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.53 -24.64 37.15 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 121.742 1.628 . . . . 0.0 111.778 179.168 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.5 -8.76 55.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.0 mp -105.88 -41.47 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.607 -179.706 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 61.57 51.97 3.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.515 179.84 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.5 mt -47.38 155.95 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.561 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.486 ' C ' ' H ' ' A' ' 87' ' ' ALA . 0.9 OUTLIER -115.99 85.19 14.53 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.602 -179.895 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -48.55 -8.02 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.42 2.08 . . . . 0.0 112.309 -179.877 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.486 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -52.36 -18.75 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.508 179.826 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.585 ' CB ' HH12 ' A' ' 39' ' ' ARG . 0.1 OUTLIER -144.68 -170.72 3.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.527 179.956 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.5 mm -93.8 152.76 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.953 0.406 . . . . 0.0 110.546 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -141.68 172.27 12.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.772 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -154.06 119.67 5.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.427 -179.672 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.32 136.25 44.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.3 179.641 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.3 m -111.47 122.21 47.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.918 -179.552 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -102.01 132.87 47.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.046 179.378 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -120.82 102.91 8.69 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.618 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.03 142.23 27.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.919 -178.029 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.641 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 3.6 p -89.12 -31.63 17.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.38 178.657 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.581 ' CZ3' ' CD1' ' A' ' 130' ' ' TYR . 12.6 m95 -110.59 146.93 35.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.438 179.715 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.4 OUTLIER -69.42 149.86 97.13 Favored Pre-proline 0 CA--C 1.534 0.36 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.743 -179.444 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' A' ' 99' ' ' SER . 51.8 Cg_exo -43.43 173.15 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 122.244 1.962 . . . . 0.0 112.422 179.507 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -112.39 -147.2 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.792 179.396 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.519 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -41.76 100.04 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.266 0.555 . . . . 0.0 109.596 179.373 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.899 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 94.2 p -39.1 -23.98 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.789 -179.91 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.513 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -84.18 -30.99 25.36 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.625 -179.095 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -74.39 -62.11 2.99 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.307 -179.632 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.98 -69.08 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.672 0.273 . . . . 0.0 111.254 -179.557 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.899 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -48.12 -30.21 4.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.904 -179.452 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -66.82 -61.99 4.85 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 179.812 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -54.04 -48.58 70.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.96 0.409 . . . . 0.0 110.333 179.735 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.12 -49.19 85.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.479 179.895 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -47.28 -59.11 3.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.25 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -48.11 -40.55 23.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.356 179.869 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -59.82 -50.34 74.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.618 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 56.8 mt -63.74 -32.77 74.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.534 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -64.82 -29.98 70.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.506 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -110.15 13.58 23.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.058 -179.822 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.516 ' O ' ' N ' ' A' ' 119' ' ' HIS . 1.2 t30 -157.09 29.32 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.994 0.426 . . . . 0.0 110.845 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.403 ' C ' ' H ' ' A' ' 120' ' ' VAL . 12.8 t -47.07 -10.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.349 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.524 ' CE1' ' O ' ' A' ' 88' ' ' GLN . 0.1 OUTLIER -75.89 13.54 0.83 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.885 0.374 . . . . 0.0 110.632 -179.934 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.489 ' O ' HG23 ' A' ' 120' ' ' VAL . 2.4 m -134.93 127.0 47.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.457 179.501 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.37 110.85 22.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.151 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 13.3 tp -109.16 112.46 24.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.77 -179.528 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.21 158.06 16.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.146 179.5 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 20.1 mt -126.21 140.01 49.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.917 -179.745 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -124.46 97.98 5.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.513 179.692 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -81.44 111.03 17.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.335 179.855 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.641 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -82.75 -52.05 7.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 -179.653 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.644 ' CA ' ' HE ' ' A' ' 128' ' ' ARG . 0.0 OUTLIER -121.43 162.4 20.51 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 110.637 -179.835 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.46 142.05 42.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.753 -179.883 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.581 ' CD1' ' CZ3' ' A' ' 98' ' ' TRP . 6.1 t80 -97.18 -140.43 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.877 179.148 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -163.93 21.78 0.07 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.638 179.822 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . 0.439 ' CG ' ' O ' ' A' ' 132' ' ' TYR . 62.8 t80 -106.83 -1.48 22.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.639 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.471 ' C ' ' H ' ' A' ' 135' ' ' LEU . 16.4 m-20 -137.29 70.04 54.87 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.616 -179.903 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -50.68 -6.74 0.1 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.745 2.297 . . . . 0.0 112.142 179.891 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.471 ' H ' ' C ' ' A' ' 133' ' ' ASP . 5.9 mp -78.4 -3.42 43.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.622 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.592 ' CG ' ' N ' ' A' ' 137' ' ' LYS . 12.6 p90 -42.46 -44.7 4.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.628 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.592 ' N ' ' CG ' ' A' ' 136' ' ' TYR . 13.8 pttp -66.4 -37.54 85.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.579 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -59.64 -49.65 76.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.603 -179.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.51 -42.02 81.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.587 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.7 mp -50.93 -58.86 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.571 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -65.57 -46.47 79.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 -179.903 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -44.57 -33.01 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.416 -179.912 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' A' ' 146' ' ' ALA . 1.4 mp -82.32 -45.37 15.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.611 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -45.35 -28.39 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.45 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -83.89 -26.43 29.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.587 179.903 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -77.08 -22.19 53.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.656 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 105.35 -6.67 42.52 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -66.25 -176.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.717 0.294 . . . . 0.0 110.541 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -129.6 136.44 49.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.612 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 2.3 m -132.13 127.33 57.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.546 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.8 m -153.14 162.19 41.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.716 -179.939 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . 0.575 HG21 ' OG ' ' A' ' 187' ' ' SER . 1.0 OUTLIER -84.16 134.15 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.529 179.903 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.588 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 10.4 ttt -52.6 134.07 35.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.614 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.51 163.67 12.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.586 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -58.92 -39.64 82.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.695 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -59.69 -58.13 9.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.54 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -53.9 -29.42 41.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.48 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.588 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.3 OUTLIER -65.85 -41.4 91.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.564 179.905 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -61.22 -48.69 80.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.605 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . 0.602 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.32 -51.34 38.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.586 -179.931 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.602 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 9.2 t -58.87 -23.65 61.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.67 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 162' ' ' TRP . . . . . 0.627 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 2.7 t-105 -72.32 -66.34 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.796 -179.755 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . 0.627 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -64.4 -14.23 55.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.282 -179.457 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 93.9 m -86.39 -22.54 26.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.353 -179.507 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -121.33 18.36 11.44 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.376 -179.449 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.526 ' C ' ' H ' ' A' ' 168' ' ' HIS . 43.5 t -140.74 135.48 34.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.935 0.398 . . . . 0.0 110.687 179.549 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . 0.485 ' CG ' HE21 ' A' ' 169' ' ' GLN . 0.6 OUTLIER -70.86 37.43 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.314 -179.964 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.713 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.2 OUTLIER -48.29 -13.61 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.414 -179.959 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . 0.485 HE21 ' CG ' ' A' ' 167' ' ' ASP . 6.6 mt-30 41.64 19.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.802 179.802 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . 0.713 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 113.64 37.32 1.31 Allowed Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 179.651 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . 0.592 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 1.5 m -127.12 80.45 71.55 Favored Pre-proline 0 N--CA 1.463 0.19 0 CA-C-O 120.629 0.252 . . . . 0.0 110.535 179.72 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -52.43 148.33 26.64 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.512 2.141 . . . . 0.0 112.182 179.873 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.46 ' CE1' ' O ' ' A' ' 174' ' ' GLN . 0.1 OUTLIER -99.27 119.12 37.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.409 179.922 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . 0.46 ' O ' ' CE1' ' A' ' 173' ' ' PHE . 0.0 OUTLIER -85.38 151.2 55.95 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.388 -179.834 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.56 141.97 35.56 Favored 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.167 1.911 . . . . 0.0 112.015 179.808 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 176' ' ' TRP . . . . . 0.584 ' CE2' ' ND2' ' A' ' 24' ' ' ASN . 2.0 p90 -91.5 178.73 5.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.469 179.862 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.81 92.42 2.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.525 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 147.49 -45.44 0.76 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.5 tp -41.44 -34.22 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 110.63 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.05 -62.66 1.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.658 -179.885 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -59.48 -60.4 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.65 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -42.02 -49.84 4.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.562 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 19.8 m -53.95 -42.25 68.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.564 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -41.82 98.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.652 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -68.02 -54.48 18.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.542 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 9.0 mt -49.47 -54.25 18.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.609 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . 0.575 ' OG ' HG21 ' A' ' 152' ' ' ILE . 22.6 m -61.0 -46.98 88.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.593 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -49.04 -47.49 32.52 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 189' ' ' ARG . . . . . 0.508 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 49.7 ttm-85 -58.98 -61.6 2.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.809 0.338 . . . . 0.0 110.591 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.9 tp -48.21 -49.1 34.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.501 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -55.37 -30.28 60.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.517 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 192' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -65.79 -50.8 63.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.513 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . 0.535 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -53.62 -49.33 56.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.565 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 5.7 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.547 179.998 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.528 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.804 0.335 . . . . 0.0 110.486 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 166' ' ' VAL . 6.7 mp -99.98 174.65 6.08 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.382 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.519 ' SD ' ' CE1' ' A' ' 54' ' ' PHE . 2.4 tpp -62.06 122.54 15.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.033 179.808 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.12 136.53 28.87 Favored Pre-proline 0 CA--C 1.537 0.446 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.724 -179.241 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.408 ' O ' ' OG1' ' A' ' 19' ' ' THR . 87.0 Cg_exo -40.06 -55.5 1.75 Allowed 'Trans proline' 0 N--CA 1.492 1.391 0 C-N-CA 122.176 1.917 . . . . 0.0 112.402 179.656 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -59.81 -50.1 75.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.277 -179.39 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 mm -48.59 -44.65 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.734 -179.583 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -68.13 -60.95 2.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.609 -179.897 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -50.66 -26.43 5.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.706 -179.78 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.2 t -78.64 -56.51 4.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.507 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.559 ' ND2' ' CE1' ' A' ' 32' ' ' TYR . 1.9 m120 -63.18 -13.97 43.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.526 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -132.47 32.68 3.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.478 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -69.49 -3.06 13.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.519 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 61.92 130.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.553 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.715 ' H ' ' NH1' ' A' ' 128' ' ' ARG . . . 100.85 22.65 10.7 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 pp -78.47 -165.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.0 110.62 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 176.45 -24.87 0.06 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -159.17 120.09 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 0.0 110.472 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -175.49 -82.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.63 179.898 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -173.48 108.74 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.762 -179.928 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.734 HG22 ' CG ' ' A' ' 98' ' ' TRP . 47.6 p -47.19 133.97 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.559 ' CE1' ' ND2' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -108.64 140.23 42.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.335 179.817 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.407 HD12 ' N ' ' A' ' 34' ' ' CYS . 9.4 tp -142.09 111.78 6.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.463 -179.887 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.407 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -102.29 147.03 27.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.021 179.407 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -133.19 134.44 44.08 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.992 0.425 . . . . 0.0 111.053 -179.55 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.496 ' OE1' HG21 ' A' ' 164' ' ' THR . 1.6 mt-10 -134.56 132.01 38.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.029 179.589 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -101.0 144.07 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.027 0.441 . . . . 0.0 110.892 -179.679 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -143.87 118.25 9.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.271 179.91 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -86.4 141.02 29.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.713 -179.823 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.609 HD22 ' N ' ' A' ' 40' ' ' LEU . 3.6 mm? -75.01 148.7 39.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.412 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -152.92 96.9 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.571 179.908 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 52.96 49.6 19.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.638 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.03 -6.08 22.45 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 179.878 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.9 m -102.74 117.39 34.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.882 0.373 . . . . 0.0 110.598 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.4 p -78.26 144.91 35.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.429 179.772 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.5 t -136.26 118.18 20.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.677 -179.863 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.79 150.03 28.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.39 179.919 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.43 ' O ' ' NH1' ' A' ' 52' ' ' ARG . 51.5 mtt -97.74 158.9 15.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.721 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -97.02 -50.35 4.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.759 -179.926 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -102.31 76.58 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.456 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.669 ' CE1' HD21 ' A' ' 82' ' ' LEU . 48.8 t-80 -172.94 -10.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.423 -179.721 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.43 ' NH1' ' O ' ' A' ' 48' ' ' MET . 6.0 ptp85 -100.88 171.05 7.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.623 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -176.65 -163.78 29.53 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.519 ' CE1' ' SD ' ' A' ' 13' ' ' MET . 42.3 p90 -165.92 146.57 6.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.904 0.383 . . . . 0.0 110.736 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.802 HD23 ' N ' ' A' ' 55' ' ' LEU . 1.3 pt? -155.4 157.62 37.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.54 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.509 ' ND1' ' N ' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -108.97 170.36 8.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.74 -179.934 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.518 ' N ' ' HB2' ' A' ' 71' ' ' ALA . 30.8 p-10 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.602 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.611 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.836 0.35 . . . . 0.0 110.473 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.518 ' HB2' ' N ' ' A' ' 57' ' ' ASN . . . -77.1 -22.85 52.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.484 179.879 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -56.57 -51.13 69.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.672 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.2 mp -58.65 -56.7 18.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.532 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -59.39 -21.78 60.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.691 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.819 ' O ' HD12 ' A' ' 78' ' ' LEU . 2.0 t80 -80.64 -34.65 34.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.827 -179.817 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.496 HD12 ' OE1' ' A' ' 109' ' ' GLU . 81.1 mt -69.24 -30.46 68.61 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.844 0.354 . . . . 0.0 110.477 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.82 -16.54 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.542 179.778 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.991 HD13 ' N ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -76.99 -14.23 59.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.245 -179.279 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.991 ' N ' HD13 ' A' ' 78' ' ' LEU . 6.4 t -41.29 -60.63 1.68 Allowed Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.683 179.885 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.81 -33.39 50.42 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 121.913 1.742 . . . . 0.0 112.001 179.633 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.71 -8.18 9.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.669 HD21 ' CE1' ' A' ' 51' ' ' HIS . 4.1 mp -113.02 -47.79 3.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.272 -179.12 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 59.3 43.48 16.73 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -178.904 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.5 mt -35.96 155.99 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.476 -179.469 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 87' ' ' ALA . 3.7 m-20 -114.71 86.1 12.43 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.122 179.792 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.428 ' C ' ' N ' ' A' ' 88' ' ' GLN . 79.3 Cg_exo -45.26 -10.53 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 122.317 2.012 . . . . 0.0 112.56 -179.347 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 85' ' ' ASP . . . -47.07 -20.17 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.912 0.387 . . . . 0.0 110.174 179.649 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -141.59 176.8 8.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.247 179.832 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.3 mm -91.65 154.22 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.029 0.442 . . . . 0.0 110.825 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -137.41 165.96 24.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.609 179.892 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -135.63 105.29 6.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.598 -179.884 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.9 t -93.54 117.97 38.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.257 179.846 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.41 119.03 37.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.06 -179.561 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.439 ' CD2' HD11 ' A' ' 122' ' ' LEU . 19.4 m0 -100.69 132.91 45.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.191 179.601 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -125.66 103.33 7.78 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.865 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.89 143.58 22.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.843 -178.275 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.65 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 0.6 OUTLIER -97.08 -22.03 17.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.441 178.721 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 98' ' ' TRP . . . . . 0.734 ' CG ' HG22 ' A' ' 31' ' ' THR . 12.9 m95 -111.94 139.81 47.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.367 179.898 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.5 OUTLIER -67.73 159.57 77.99 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.765 -179.691 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' A' ' 99' ' ' SER . 53.6 Cg_exo -42.49 173.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.314 -1.287 0 C-N-CA 122.648 2.232 . . . . 0.0 112.475 179.53 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -131.26 -54.95 1.03 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.394 179.691 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.517 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -132.29 107.24 8.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.793 179.566 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.528 ' O ' ' N ' ' A' ' 108' ' ' GLY . 82.7 p -43.33 -33.61 1.04 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.938 -179.682 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -84.63 -21.77 30.16 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.995 -179.646 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.86 -63.74 1.52 Allowed Glycine 0 CA--C 1.525 0.698 0 C-N-CA 120.275 -0.964 . . . . 0.0 110.833 179.889 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 106' ' ' CYS . . . . . 0.818 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -79.32 -69.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.765 0.317 . . . . 0.0 111.067 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.55 -24.73 61.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.777 -179.596 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -69.13 -60.11 5.41 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.918 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.496 ' OE1' HD12 ' A' ' 76' ' ' LEU . 5.5 mt-10 -60.12 -20.77 59.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.972 0.415 . . . . 0.0 110.384 179.836 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 106' ' ' CYS . 92.1 t -74.02 -61.92 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.919 -179.905 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.448 ' CG ' ' N ' ' A' ' 112' ' ' ALA . 0.0 OUTLIER -57.07 -42.01 79.84 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.155 -179.743 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.448 ' N ' ' CG ' ' A' ' 111' ' ' ARG . . . -51.8 -54.56 27.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.188 179.635 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 117' ' ' ASN . 5.3 t80 -49.34 -43.62 43.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.199 179.63 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.448 ' C ' ' N ' ' A' ' 116' ' ' GLU . 4.4 mp -65.71 -55.83 15.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.28 179.692 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -46.57 -19.41 0.09 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.05 179.573 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 114' ' ' LEU . 15.1 tt0 -110.04 -23.11 11.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.996 -179.939 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 113' ' ' PHE . 81.2 m-20 -141.7 55.19 1.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.998 -179.708 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.4 ' C ' ' H ' ' A' ' 120' ' ' VAL . 0.1 OUTLIER -53.81 -9.29 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.787 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.499 ' O ' ' ND1' ' A' ' 119' ' ' HIS . 5.0 p80 -76.43 14.15 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.59 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.421 ' CG2' ' CE1' ' A' ' 119' ' ' HIS . 58.5 t -132.34 133.94 59.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.48 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.54 148.34 22.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.514 -179.882 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.439 HD11 ' CD2' ' A' ' 94' ' ' TRP . 0.1 OUTLIER -129.16 112.27 13.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.341 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -114.13 117.93 32.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.961 179.522 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 42.3 mt -105.81 130.77 56.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.302 -179.214 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.413 ' CZ ' ' OE2' ' A' ' 157' ' ' GLU . 87.7 m-85 -121.79 97.82 5.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.225 179.392 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -78.14 108.56 11.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.88 0.371 . . . . 0.0 110.428 -179.873 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.65 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -80.23 -44.6 19.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.73 -179.92 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.715 ' NH1' ' H ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -131.32 145.36 51.83 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.813 0.339 . . . . 0.0 110.588 179.88 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.522 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 1.5 mt -102.31 117.05 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.666 -179.894 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.522 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 14.2 m-85 -159.83 115.85 2.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.478 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -139.72 176.82 8.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.532 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -102.26 -13.71 17.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.594 -179.928 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.12 160.83 32.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.518 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.22 7.81 0.77 Allowed 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.517 2.145 . . . . 0.0 112.158 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.19 -17.72 58.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.557 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 136' ' ' TYR . . . . . 0.601 ' CD1' ' N ' ' A' ' 137' ' ' LYS . 0.6 OUTLIER -54.56 -28.74 48.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.599 -179.977 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 137' ' ' LYS . . . . . 0.601 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 25.9 ttmt -63.53 -59.22 4.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.588 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -48.46 -44.18 35.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.519 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -51.17 -55.81 16.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.601 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.4 mp -49.02 -42.89 39.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.537 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.75 -52.75 48.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.537 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 142' ' ' MET . . . . . 0.493 ' SD ' ' O ' ' A' ' 103' ' ' SER . 0.6 OUTLIER -46.87 -27.17 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.544 -179.967 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 146' ' ' ALA . 4.9 mt -82.13 -58.8 2.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.536 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -46.28 -21.99 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.624 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . 0.403 ' N ' ' C ' ' A' ' 143' ' ' LEU . 0.8 OUTLIER -85.16 -28.98 25.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.704 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -77.31 -24.09 50.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.567 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 97.52 10.84 52.89 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -76.63 176.1 8.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.728 0.299 . . . . 0.0 110.567 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -105.71 129.24 53.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.58 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 1.1 t -132.14 111.47 18.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.487 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 76.5 p -147.26 162.25 39.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.628 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 2.3 mt -84.94 133.64 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.505 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 153' ' ' MET . . . . . 0.566 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 2.6 ttt -50.11 121.65 5.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.576 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 6.3 p -101.67 -178.6 3.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.561 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -61.32 -55.18 34.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.67 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -50.15 -42.11 50.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.684 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . 0.413 ' OE2' ' CZ ' ' A' ' 125' ' ' PHE . 6.3 mm-40 -67.49 -35.48 79.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.578 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.566 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 1.0 OUTLIER -63.1 -45.32 92.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.55 -179.937 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -59.5 -45.39 91.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.608 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 160' ' ' HIS . . . . . 0.614 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -66.92 -57.62 6.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.444 179.891 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.614 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 6.8 t -55.98 -23.54 33.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.719 -179.902 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 162' ' ' TRP . . . . . 0.623 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 7.2 t-105 -73.87 -71.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.01 -179.62 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 163' ' ' ASP . . . . . 0.623 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -62.7 -14.33 42.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.245 -179.627 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . 0.496 HG21 ' OE1' ' A' ' 36' ' ' GLU . 52.4 m -82.95 -27.28 30.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.238 -179.612 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -121.36 9.68 10.4 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 116.592 -0.277 . . . . 0.0 111.518 -179.436 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.568 ' C ' ' H ' ' A' ' 168' ' ' HIS . 73.1 t -122.2 143.24 35.54 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.298 0 CA-C-O 120.985 0.422 . . . . 0.0 111.217 179.821 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -71.35 36.19 0.05 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.626 178.923 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 168' ' ' HIS . . . . . 0.715 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.7 OUTLIER -43.0 -59.14 2.13 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.794 179.941 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 169' ' ' GLN . . . . . 0.63 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 7.5 mt-30 42.88 15.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.113 179.669 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 170' ' ' GLY . . . . . 0.715 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 144.34 0.4 1.01 Allowed Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 179.784 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 171' ' ' CYS . . . . . 0.624 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 3.9 m -115.32 88.81 19.46 Favored Pre-proline 0 CA--C 1.531 0.228 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.72 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -82.19 149.62 15.34 Favored 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 122.383 2.056 . . . . 0.0 112.371 -179.425 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 173' ' ' PHE . . . . . 0.478 ' CE1' ' O ' ' A' ' 174' ' ' GLN . 0.4 OUTLIER -99.75 118.94 37.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.465 -179.952 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 174' ' ' GLN . . . . . 0.478 ' O ' ' CE1' ' A' ' 173' ' ' PHE . 4.4 mp0 -81.34 155.99 71.53 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.422 -179.936 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -69.0 134.47 29.65 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 C-N-CA 122.288 1.992 . . . . 0.0 112.152 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -74.78 172.63 11.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.468 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.95 102.34 13.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.464 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 137.84 -6.48 3.48 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 179' ' ' LEU . . . . . 0.564 ' O ' HD23 ' A' ' 179' ' ' LEU . 0.9 OUTLIER -54.19 -43.22 70.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.324 . . . . 0.0 110.522 179.982 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -62.92 -62.58 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.589 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -51.48 -57.17 9.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -49.8 -56.02 11.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.602 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 23.5 t -50.14 -47.82 54.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.577 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -60.91 -32.79 72.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.539 -179.931 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -68.77 -55.85 9.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.546 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 26.7 mt -65.01 -57.72 7.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.562 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 59.9 p -46.09 -38.17 7.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.6 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -63.71 -50.03 64.43 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -47.05 -51.61 17.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.834 0.35 . . . . 0.0 110.547 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 190' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 192' ' ' ALA . 0.5 OUTLIER -59.46 -61.86 2.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.614 -179.967 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 1.8 ttm105 -46.55 -16.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.536 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 192' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 190' ' ' LEU . . . -94.32 -52.44 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.717 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.5 tp -62.57 -26.57 40.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.637 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 194' ' ' LEU . . . . . 0.438 HD12 HD22 ' A' ' 190' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.575 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mtt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.18 102.88 1.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.561 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 43.03 -99.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.679 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.44 162.67 10.12 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.475 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -69.21 126.93 14.28 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.561 2.174 . . . . 0.0 112.123 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.6 168.16 20.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.665 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.9 p -104.98 -115.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.532 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 174.39 63.92 0.05 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -76.61 28.96 0.41 Allowed 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.784 2.323 . . . . 0.0 112.197 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.42 ' O ' ' OD1' ' A' ' 167' ' ' ASP . 2.3 mtt85 -77.06 -136.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.52 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.546 ' H ' ' CD2' ' A' ' 11' ' ' HIS . 0.3 OUTLIER -107.42 73.79 0.93 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.342 179.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.597 HD12 ' N ' ' A' ' 12' ' ' LEU . 7.0 mp -94.57 174.67 7.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.216 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.501 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -61.7 150.91 35.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.16 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.475 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 1.1 m-20 -67.44 147.31 98.83 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.952 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.42 ' O ' ' OG1' ' A' ' 19' ' ' THR . 72.8 Cg_exo -41.1 -46.75 5.23 Favored 'Trans proline' 0 N--CA 1.49 1.32 0 C-N-CA 122.379 2.053 . . . . 0.0 112.395 179.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -73.3 -46.7 48.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.351 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 mm -48.47 -39.39 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.587 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.404 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 33.5 t80 -71.66 -56.32 6.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.751 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -54.36 -64.32 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.646 -179.823 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.7 m -46.72 -42.66 17.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.59 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.513 ' OD1' ' CD1' ' A' ' 32' ' ' TYR . 6.6 t30 -62.19 -52.27 64.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.715 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -84.4 17.54 2.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.608 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -50.09 95.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.528 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -46.36 118.26 1.88 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.59 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.83 68.32 0.79 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 pt -108.12 -165.92 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.848 0.356 . . . . 0.0 110.684 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -167.92 -27.62 0.02 OUTLIER Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.636 -0.986 . . . . 0.0 110.636 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.441 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 0.0 OUTLIER -172.02 120.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 110.374 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.441 ' CG ' ' O ' ' A' ' 28' ' ' ARG . 14.2 m-70 -164.7 -86.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.548 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -172.94 110.91 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.694 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.7 HG22 ' CG ' ' A' ' 98' ' ' TRP . 44.9 p -47.04 143.35 3.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.754 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.513 ' CD1' ' OD1' ' A' ' 21' ' ' ASN . 0.7 OUTLIER -118.6 142.4 47.67 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.649 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.7 tp -139.15 110.87 7.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.482 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.21 110.25 21.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.253 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.454 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 36.2 p90 -101.3 134.56 44.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.918 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -120.65 129.17 53.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.182 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.775 HG11 ' CE1' ' A' ' 51' ' ' HIS . 12.3 t -104.26 131.01 54.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.943 0.401 . . . . 0.0 110.799 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -143.73 152.06 40.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.369 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.9 ttm180 -107.51 140.54 40.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.431 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 mp -99.21 121.25 40.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.53 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -136.16 102.21 4.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.552 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.474 ' C ' ' H ' ' A' ' 44' ' ' THR . 59.7 t30 52.63 54.69 10.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.532 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.27 -8.88 1.84 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.474 ' H ' ' C ' ' A' ' 42' ' ' ASN . 0.2 OUTLIER -90.57 100.61 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.792 0.329 . . . . 0.0 110.519 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.9 m -84.53 117.06 23.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.577 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.2 t -100.77 105.79 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.536 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.9 mttp -69.75 126.37 29.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.597 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 6.6 mtt -80.02 147.15 31.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.475 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.68 -50.15 5.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.57 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -102.2 71.65 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.485 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.796 ' NE2' HD22 ' A' ' 82' ' ' LEU . 31.9 t-80 -166.76 -12.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.647 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.586 HH22 HD21 ' A' ' 12' ' ' LEU . 14.2 ptt85 -100.88 170.72 8.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.609 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.454 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . -179.52 -173.32 44.54 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.649 ' O ' HD12 ' A' ' 55' ' ' LEU . 9.2 p90 -144.4 153.32 41.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.778 0.323 . . . . 0.0 110.703 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.649 HD12 ' O ' ' A' ' 54' ' ' PHE . 3.1 mp -128.42 178.48 6.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.645 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.422 ' O ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -150.86 137.66 18.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.457 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.461 ' C ' ' ND2' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -40.81 162.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.662 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.403 ' N ' ' CG ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -155.48 128.35 8.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.642 -179.846 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -160.29 68.22 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.531 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -147.49 14.71 1.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.584 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.461 ' C ' ' H ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -143.24 23.62 1.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.541 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.81 -1.71 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.678 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.461 ' H ' ' C ' ' A' ' 61' ' ' ASN . 1.6 mm? -87.65 -22.64 24.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.378 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -85.22 8.05 19.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.574 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.29 -17.81 57.37 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -85.09 67.01 10.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.741 0.305 . . . . 0.0 110.542 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -46.33 162.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.528 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -42.35 125.07 3.99 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -131.28 138.36 49.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.671 0.272 . . . . 0.0 110.452 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.62 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -78.44 157.85 28.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.615 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.0 -37.24 81.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.428 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -50.88 -45.41 60.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.2 mt -71.27 -60.15 2.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.682 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 15.6 mtp85 -51.46 -21.61 2.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.535 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.439 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 3.7 t80 -75.63 -64.65 1.03 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.661 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 tp -49.82 -19.89 0.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.952 0.406 . . . . 0.0 110.787 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.87 -15.92 10.11 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.612 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.864 HD23 ' N ' ' A' ' 79' ' ' VAL . 0.1 OUTLIER -95.6 -8.91 33.63 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.149 0.426 . . . . 0.0 112.149 -178.65 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.864 ' N ' HD23 ' A' ' 78' ' ' LEU . 1.0 OUTLIER -58.93 -42.26 93.04 Favored Pre-proline 0 CA--C 1.53 0.206 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.914 -179.447 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 16.6 Cg_exo -64.47 -20.49 66.07 Favored 'Trans proline' 0 C--N 1.309 -1.512 0 C-N-CA 122.368 2.045 . . . . 0.0 111.852 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.5 t -87.55 -11.31 49.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.804 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.796 HD22 ' NE2' ' A' ' 51' ' ' HIS . 47.7 mt -99.14 -15.74 18.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.654 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 41.23 52.89 3.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.629 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.9 mt -38.75 155.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.762 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' A' ' 87' ' ' ALA . 62.1 m-20 -116.07 85.31 14.95 Favored Pre-proline 0 CA--C 1.531 0.227 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.501 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -49.1 -7.38 0.07 OUTLIER 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.326 2.017 . . . . 0.0 112.415 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.483 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -42.07 -35.57 0.94 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.22 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.589 ' H ' ' NE2' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -129.84 -170.88 2.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.235 179.79 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 10.4 mm -90.72 155.93 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.89 0.376 . . . . 0.0 110.587 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.507 ' HB2' HG12 ' A' ' 120' ' ' VAL . 2.3 m-85 -134.88 166.44 22.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.573 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -140.93 103.66 4.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.564 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.38 117.16 42.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.088 179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.2 m -101.11 122.46 43.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.064 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.44 ' CD1' HD21 ' A' ' 122' ' ' LEU . 18.7 m0 -100.6 131.8 46.32 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.453 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.593 ' CE1' ' SG ' ' A' ' 161' ' ' CYS . 47.5 m-85 -123.95 102.75 7.94 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.97 141.07 29.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.961 -178.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.665 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 5.6 p -96.95 -24.36 15.87 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.75 178.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.7 ' CG ' HG22 ' A' ' 31' ' ' THR . 13.5 m95 -114.07 133.85 55.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.537 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.433 ' OG ' HG23 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -53.32 163.12 1.01 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.565 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -70.64 172.95 12.49 Favored 'Trans proline' 0 C--N 1.31 -1.489 0 C-N-CA 122.559 2.173 . . . . 0.0 112.216 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.584 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 30.6 p -107.77 -131.73 0.31 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.551 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.584 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -56.22 99.69 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.391 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.887 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 48.0 t -38.55 -25.17 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.804 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.521 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -85.28 -32.59 22.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.484 -179.479 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -78.02 -62.22 2.38 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.21 -69.13 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.733 0.301 . . . . 0.0 111.148 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.887 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -51.32 -54.76 23.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.77 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -42.17 -55.06 4.39 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -47.16 -49.12 23.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.873 0.368 . . . . 0.0 110.285 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.403 ' H ' HG23 ' A' ' 110' ' ' VAL . 3.0 t -64.12 -50.65 76.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.706 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -41.8 -59.36 1.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.505 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.52 -40.41 68.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.413 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.436 ' O ' ' N ' ' A' ' 117' ' ' ASN . 7.4 t80 -52.75 -48.83 66.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.449 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.429 ' C ' ' N ' ' A' ' 116' ' ' GLU . 17.9 mt -68.53 -53.85 20.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.424 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -46.68 -20.33 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.435 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.466 ' C ' HD22 ' A' ' 117' ' ' ASN . 0.7 OUTLIER -110.36 -30.37 7.71 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.035 -179.813 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.562 ' O ' HG22 ' A' ' 120' ' ' VAL . 1.9 m-80 -131.42 53.94 1.95 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.911 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.31 4.6 0.69 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.753 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.433 ' H ' ' C ' ' A' ' 117' ' ' ASN . 9.3 p80 -82.14 12.05 4.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.878 0.37 . . . . 0.0 110.467 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 117' ' ' ASN . 13.0 m -132.31 134.61 59.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.537 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -91.4 116.3 28.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.056 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.44 HD21 ' CD1' ' A' ' 94' ' ' TRP . 0.6 OUTLIER -100.94 119.76 39.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.07 -179.514 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -106.85 123.75 48.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.659 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 21.3 mm -104.71 128.16 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.026 -179.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -126.84 114.38 17.83 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.011 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -97.44 109.86 22.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.06 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.665 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -81.82 -42.92 18.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -135.94 141.56 44.51 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.904 0.383 . . . . 0.0 110.734 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.518 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 0.5 OUTLIER -99.21 125.29 52.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.671 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 4.5 m-85 -172.62 119.68 0.38 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.44 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -153.65 -166.06 2.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.613 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -86.65 -31.71 20.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.63 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.98 162.33 44.04 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.471 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.437 ' C ' ' N ' ' A' ' 136' ' ' TYR . 39.0 Cg_endo -69.72 3.8 2.54 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.579 2.186 . . . . 0.0 112.07 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 tp -45.29 -20.25 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.504 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.437 ' N ' ' C ' ' A' ' 134' ' ' PRO . 0.0 OUTLIER -44.66 -25.72 0.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.424 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -61.37 -59.99 4.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.353 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -55.32 -29.1 57.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.269 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -64.23 -38.09 89.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.322 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.2 mp -68.24 -39.72 82.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.517 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -73.73 -60.63 2.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.541 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.469 ' SD ' ' O ' ' A' ' 103' ' ' SER . 3.2 ttm -44.8 -37.72 4.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.559 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.536 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 0.7 OUTLIER -74.3 -40.04 62.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.545 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -52.64 -41.89 64.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.516 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.35 -3.13 15.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.555 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.536 ' HB3' ' O ' ' A' ' 143' ' ' LEU . . . -90.35 -24.05 20.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.548 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 101.25 -19.08 52.84 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -54.63 159.85 2.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.788 0.328 . . . . 0.0 110.57 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.423 ' O ' ' OE1' ' A' ' 149' ' ' GLN . 0.6 OUTLIER -98.07 107.1 19.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.572 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.541 ' O ' HG13 ' A' ' 150' ' ' VAL . 12.4 p -100.73 120.87 50.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.572 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.13 161.31 42.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.547 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.1 tp -88.11 138.03 19.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.585 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.543 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 2.5 ttt -42.65 135.37 2.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.621 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.57 162.1 16.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.555 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -57.06 -47.43 80.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.699 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -56.31 -38.74 71.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.555 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.49 ' O ' ' SG ' ' A' ' 161' ' ' CYS . 91.0 mt-10 -69.53 -32.0 70.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.63 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.543 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.5 OUTLIER -63.39 -44.65 94.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.584 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.74 -50.27 71.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.776 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.505 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -64.82 -57.8 7.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.695 -179.843 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.593 ' SG ' ' CE1' ' A' ' 95' ' ' PHE . 83.9 m -51.99 -33.05 36.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.83 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' TRP . . . . . 0.544 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 6.7 t-105 -64.17 -70.13 0.24 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.972 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . 0.545 ' OD1' ' ND1' ' A' ' 168' ' ' HIS . 73.2 m-20 -58.52 -17.08 18.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.603 0.24 . . . . 0.0 111.135 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.519 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 36.7 m -86.68 -43.24 12.75 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.752 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.501 ' O ' ' SD ' ' A' ' 13' ' ' MET . 48.2 m-85 -98.46 19.4 14.55 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -178.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.455 HG12 ' N ' ' A' ' 168' ' ' HIS . 94.3 t -137.56 147.09 26.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.925 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' A' ' 169' ' ' GLN . 0.4 OUTLIER -80.84 35.2 0.36 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-O 121.445 0.641 . . . . 0.0 109.357 179.219 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.621 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -45.49 -13.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.931 -179.596 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . 0.524 ' N ' ' O ' ' A' ' 167' ' ' ASP . 29.0 mt-30 48.06 12.96 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.909 0.385 . . . . 0.0 110.455 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . 0.621 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 113.98 50.54 0.51 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.555 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.0 OUTLIER -127.16 150.4 72.14 Favored Pre-proline 0 CA--C 1.537 0.451 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 179.709 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -77.03 172.53 16.0 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 122.434 2.089 . . . . 0.0 112.864 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 43.1 t80 -91.43 150.71 21.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.107 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -110.2 94.3 17.9 Favored Pre-proline 0 CA--C 1.535 0.393 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.819 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -81.38 145.0 14.74 Favored 'Trans proline' 0 N--CA 1.49 1.27 0 C-N-CA 122.158 1.905 . . . . 0.0 112.195 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' TRP . . . . . 0.526 ' HE1' ' CD2' ' A' ' 182' ' ' HIS . 0.2 OUTLIER -72.56 167.3 20.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.319 179.766 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.42 86.48 7.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.9 0.381 . . . . 0.0 110.663 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 150.04 50.4 0.02 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 6.3 mp -77.47 -49.31 15.05 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.554 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . 0.408 ' O ' ' CG ' ' A' ' 184' ' ' GLN . 3.6 t0 -59.2 -22.35 60.89 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.866 0.365 . . . . 0.0 110.299 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -78.75 -61.78 1.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.18 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' HIS . . . . . 0.526 ' CD2' ' HE1' ' A' ' 176' ' ' TRP . 0.3 OUTLIER -66.93 -32.53 73.85 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.974 -179.362 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . 0.405 ' N ' ' ND1' ' A' ' 182' ' ' HIS . 85.0 p -67.51 -53.48 28.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.481 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . 0.408 ' CG ' ' O ' ' A' ' 180' ' ' ASP . 37.3 mm-40 -60.7 -35.11 75.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.498 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -64.55 -64.48 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.538 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 11.5 mt -54.23 -58.2 8.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.515 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 74.3 m -47.66 -37.25 12.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.53 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -64.18 -35.21 91.69 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . 0.657 ' CA ' ' HE ' ' A' ' 189' ' ' ARG . 0.0 OUTLIER -65.83 -56.91 9.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.328 . . . . 0.0 110.427 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.483 ' O ' HD23 ' A' ' 190' ' ' LEU . 1.2 tt -47.67 -56.14 7.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.398 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -46.05 -49.44 16.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.452 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -47.2 -52.82 14.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.578 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . 0.531 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -63.75 -30.16 49.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.567 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.4 mt -81.31 -4.77 56.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.542 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -103.85 92.14 4.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.56 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -125.29 17.82 8.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.546 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.85 166.2 27.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.528 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 97.68 -27.12 20.31 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 19.8 t30 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.6 179.958 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 3' ' ' ALA . 61.3 mtm . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -69.04 65.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.589 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 1' ' ' MET . . . -93.96 -40.69 9.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.612 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.8 m -139.42 61.39 19.8 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.598 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -74.87 -27.42 10.29 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.723 2.282 . . . . 0.0 112.18 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -172.4 -141.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.571 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' A' ' 8' ' ' GLY . 48.3 t 55.05 -127.7 2.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.562 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.449 ' C ' ' H ' ' A' ' 10' ' ' ARG . . . -137.7 177.13 20.16 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -72.05 22.69 0.26 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.815 2.344 . . . . 0.0 112.06 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.449 ' H ' ' C ' ' A' ' 8' ' ' GLY . 0.7 OUTLIER 60.48 154.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.529 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -161.55 99.0 1.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.52 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.853 HD22 ' N ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -107.59 173.41 6.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.161 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 63.4 mtm -71.8 156.92 38.77 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.25 139.16 92.2 Favored Pre-proline 0 CA--C 1.537 0.469 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.403 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.408 ' O ' ' OG1' ' A' ' 19' ' ' THR . 77.7 Cg_exo -40.5 -54.25 2.37 Favored 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 122.113 1.875 . . . . 0.0 112.258 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -64.19 -47.46 79.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.973 -179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.415 ' O ' ' OD1' ' A' ' 21' ' ' ASN . 1.8 mm -48.87 -32.75 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.565 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -81.65 -60.43 2.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.607 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -50.88 -24.18 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.52 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 t -86.16 -42.24 14.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.566 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.684 HD22 ' NH2' ' A' ' 28' ' ' ARG . 10.6 m120 -73.36 -5.19 38.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.602 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -133.2 24.2 4.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.494 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 58.9 t-20 -76.12 107.2 8.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.562 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -42.64 113.52 0.47 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.588 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.14 66.21 0.82 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -99.57 -176.36 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.598 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -165.42 1.49 0.05 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.684 ' NH2' HD22 ' A' ' 21' ' ' ASN . 0.2 OUTLIER -85.43 163.01 18.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.782 0.325 . . . . 0.0 110.518 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -104.53 94.77 5.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.636 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -172.81 62.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.655 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.442 HG22 ' CD2' ' A' ' 98' ' ' TRP . 24.0 p -47.06 133.68 11.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -106.1 135.78 46.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.393 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.8 tp -134.51 107.75 7.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.328 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.589 ' SG ' ' CG ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -93.68 118.68 31.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.336 179.779 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.448 ' CE2' ' C ' ' A' ' 53' ' ' GLY . 25.9 p90 -107.17 134.04 50.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.522 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.441 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -127.78 129.41 46.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.169 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.641 HG21 ' ND1' ' A' ' 51' ' ' HIS . 86.3 t -99.34 125.93 52.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.969 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -138.27 157.04 47.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.316 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.2 ttp180 -126.33 142.55 51.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.474 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.457 HD12 ' HB ' ' A' ' 89' ' ' ILE . 59.1 mt -87.85 144.1 26.77 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.95 0.405 . . . . 0.0 110.691 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.32 103.16 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.599 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 59.42 25.06 13.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.519 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 97.42 -19.94 52.71 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.7 m -87.19 112.19 21.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.611 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 p -76.47 125.04 28.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.599 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 17.7 t -111.73 102.5 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.629 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.71 154.36 41.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.454 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -103.37 147.56 26.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.643 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 9.9 p-10 -91.31 -50.37 5.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.549 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.404 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -99.89 69.57 1.57 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.316 179.834 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.641 ' ND1' HG21 ' A' ' 37' ' ' VAL . 10.5 t-80 -171.51 9.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.463 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.554 HH22 ' CD1' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -111.82 170.74 7.93 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.513 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.448 ' C ' ' CE2' ' A' ' 35' ' ' TYR . . . 176.85 -174.93 47.42 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -146.17 138.35 25.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.652 0.263 . . . . 0.0 110.725 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.4 mt -125.58 169.65 12.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.515 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.04 138.21 43.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.297 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.681 ' HA ' ' HB2' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -70.34 -162.13 0.05 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.061 0.458 . . . . 0.0 110.875 -179.734 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 57' ' ' ASN . 16.1 mt-30 51.76 172.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.685 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -164.88 -22.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.339 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt 60.67 96.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.712 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.533 ' O ' ' N ' ' A' ' 63' ' ' LEU . 1.1 t-20 -113.6 122.86 48.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.373 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.674 HD12 ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -43.31 -15.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.319 -179.64 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.674 ' N ' HD12 ' A' ' 62' ' ' LEU . 3.8 mt -67.75 -51.09 53.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.771 0.32 . . . . 0.0 110.595 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 3.9 t -105.84 -13.39 15.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.629 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.523 ' O ' ' CG ' ' A' ' 66' ' ' PHE . . . 75.97 -12.97 7.75 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.523 ' CG ' ' O ' ' A' ' 65' ' ' GLY . 97.5 m-85 -158.77 65.49 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.726 0.298 . . . . 0.0 110.645 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -69.76 120.02 14.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.549 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -116.58 105.66 1.38 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 45.0 mtp85 -136.66 116.79 13.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.696 0.284 . . . . 0.0 110.512 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.476 ' NE2' ' CD1' ' A' ' 73' ' ' LEU . 0.3 OUTLIER -41.37 135.27 2.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.102 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.681 ' HB2' ' HA ' ' A' ' 57' ' ' ASN . . . -80.95 -15.1 57.18 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.974 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.528 ' OE1' ' CZ3' ' A' ' 94' ' ' TRP . 2.2 mm-40 -41.05 -39.99 1.35 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.911 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.476 ' CD1' ' NE2' ' A' ' 70' ' ' HIS . 96.1 mt -71.03 -35.3 71.94 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.699 -0.4 . . . . 0.0 109.995 179.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 71' ' ' ALA . 0.5 OUTLIER -59.45 -24.24 63.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.983 179.545 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -81.14 -58.51 3.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.476 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.678 ' O ' HG23 ' A' ' 79' ' ' VAL . 5.0 mt -62.77 -19.74 64.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -55.44 -36.7 66.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.65 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.498 ' CD1' HD21 ' A' ' 82' ' ' LEU . 1.3 pp -79.83 4.71 15.71 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.235 -179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 76' ' ' LEU . 4.3 t -42.48 -59.85 2.57 Favored Pre-proline 0 CA--C 1.534 0.342 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.245 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.409 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 9.8 Cg_endo -52.29 -33.97 57.87 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 121.747 1.631 . . . . 0.0 111.883 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.86 -9.13 3.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.678 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.582 HD22 ' NE2' ' A' ' 51' ' ' HIS . 8.8 mt -107.95 -46.54 3.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.375 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 65.76 49.53 1.7 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.074 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.6 mt -63.32 131.52 48.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.247 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -97.35 159.66 30.69 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.538 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.419 ' O ' ' O ' ' A' ' 87' ' ' ALA . 54.6 Cg_endo -71.51 3.34 3.73 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.518 2.145 . . . . 0.0 112.372 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.419 ' O ' ' O ' ' A' ' 86' ' ' PRO . . . -42.11 -94.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.701 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.745 ' H ' ' NE2' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -93.66 -167.76 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.375 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.553 ' H ' HD12 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -94.3 160.68 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.987 0.422 . . . . 0.0 110.257 179.809 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -128.57 140.67 51.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.939 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -125.1 108.09 11.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.312 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.1 t -103.24 124.82 57.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.037 0.446 . . . . 0.0 110.205 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.65 122.72 39.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.786 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.528 ' CZ3' ' OE1' ' A' ' 72' ' ' GLU . 16.3 m0 -103.36 131.88 50.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.523 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -124.8 102.95 7.81 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 178.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.9 138.34 39.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.415 -178.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.66 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 0.5 OUTLIER -94.73 -23.88 17.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.882 179.237 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.608 ' CZ3' ' CD2' ' A' ' 130' ' ' TYR . 20.8 m95 -114.23 136.44 52.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.488 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -51.28 162.69 0.62 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.626 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' A' ' 99' ' ' SER . 53.9 Cg_exo -42.34 172.1 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.446 0 C-N-CA 122.658 2.239 . . . . 0.0 112.309 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.63 -34.81 3.88 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.355 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.504 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.2 OUTLIER -171.48 109.21 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.694 179.708 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.497 ' O ' ' SD ' ' A' ' 142' ' ' MET . 53.4 p -42.34 -36.56 1.3 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.795 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -84.64 -19.88 32.21 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.259 -179.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -86.27 -65.33 1.42 Allowed Glycine 0 CA--C 1.526 0.761 0 C-N-CA 120.102 -1.047 . . . . 0.0 111.135 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . 0.448 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -79.64 -69.51 0.58 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.747 0.308 . . . . 0.0 110.763 179.815 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -54.6 -20.82 8.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.015 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -68.83 -60.86 5.02 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.283 -1.127 . . . . 0.0 110.283 179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -55.08 -23.1 18.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.847 0.356 . . . . 0.0 110.284 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 106' ' ' CYS . 88.3 t -72.62 -62.9 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.727 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.528 ' NH2' ' CE ' ' A' ' 142' ' ' MET . 6.7 ptt180 -53.74 -30.72 45.49 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.494 -0.482 . . . . 0.0 110.168 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.84 -48.72 77.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.245 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -64.84 -38.88 92.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 10.4 mp -74.62 -32.75 62.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.968 0.414 . . . . 0.0 110.727 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -62.14 -36.1 80.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.116 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -100.55 -4.93 27.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.926 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.636 ' O ' HG12 ' A' ' 120' ' ' VAL . 14.1 t-20 -164.29 61.88 0.15 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.051 0.453 . . . . 0.0 110.943 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.29 2.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.254 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.526 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -75.75 3.03 10.63 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.427 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.654 HG13 ' O ' ' A' ' 120' ' ' VAL . 7.1 p -124.46 99.14 5.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.379 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -99.28 148.91 23.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.259 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 122' ' ' LEU . 0.3 OUTLIER -142.59 153.47 43.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.189 0.519 . . . . 0.0 111.644 -179.734 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.478 ' C ' HD12 ' A' ' 124' ' ' ILE . 2.9 mtp180 -107.12 135.79 48.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.067 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.478 HD12 ' C ' ' A' ' 123' ' ' ARG . 1.7 mp -105.33 132.86 51.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.822 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -128.02 115.74 18.95 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.963 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -96.61 110.6 22.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.07 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.66 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -82.86 -40.57 20.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -137.46 138.09 39.39 Favored 'General case' 0 C--N 1.332 -0.185 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.951 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -103.17 115.46 45.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.534 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.608 ' CD2' ' CZ3' ' A' ' 98' ' ' TRP . 10.7 t80 -103.51 153.29 20.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.972 0.415 . . . . 0.0 110.518 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.47 ' N ' ' OD1' ' A' ' 131' ' ' ASP . 1.1 m-20 -78.94 74.31 5.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.563 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.18 -59.95 2.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.555 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -159.85 162.14 25.21 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.441 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.469 ' C ' ' H ' ' A' ' 136' ' ' TYR . 40.8 Cg_endo -69.83 -11.44 30.76 Favored 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 122.533 2.155 . . . . 0.0 112.094 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.449 HD13 ' CE1' ' A' ' 102' ' ' PHE . 7.8 mt -66.42 4.57 0.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.622 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.469 ' H ' ' C ' ' A' ' 134' ' ' PRO . 0.5 OUTLIER -57.48 -54.8 42.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.596 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -56.69 -54.72 42.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.603 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -44.72 -53.48 7.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.618 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -48.53 -50.9 30.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.512 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.415 ' O ' HD23 ' A' ' 140' ' ' LEU . 0.8 OUTLIER -48.08 -51.0 26.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.616 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -61.79 -50.53 71.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.649 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.528 ' CE ' ' NH2' ' A' ' 111' ' ' ARG . 1.7 ttt -47.28 -49.93 22.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.619 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.8 mt -57.22 -41.52 79.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.607 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 19.4 ttt180 -60.14 -31.87 70.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.58 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -84.1 -13.51 52.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.554 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.6 -16.39 30.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.588 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 95.97 -8.16 67.67 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -71.35 157.93 37.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.761 0.315 . . . . 0.0 110.568 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -95.0 146.39 24.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.575 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 11.4 t -132.05 120.83 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.589 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.6 m -153.11 162.07 41.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.548 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.459 ' O ' HG23 ' A' ' 152' ' ' ILE . 1.7 tp -90.06 130.45 39.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.476 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -41.49 122.25 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.591 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.82 173.66 6.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.629 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.441 ' CD1' ' C ' ' A' ' 155' ' ' TYR . 1.2 t80 -58.86 -55.73 31.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.586 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -50.07 -44.02 51.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.447 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -62.35 -42.49 99.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.629 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -57.56 -48.94 77.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.575 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -52.3 -50.08 62.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.973 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.612 ' CD2' ' N ' ' A' ' 161' ' ' CYS . 0.4 OUTLIER -67.89 -57.84 5.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.827 -179.789 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.612 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 2.5 t -52.19 -26.37 11.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.802 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' TRP . . . . . 0.633 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.0 t-105 -70.86 -70.09 0.33 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.92 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . 0.633 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -63.33 -14.3 48.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.612 -179.123 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 23.0 m -82.51 -27.26 31.85 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.911 -0.315 . . . . 0.0 111.194 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.589 ' CG ' ' SG ' ' A' ' 34' ' ' CYS . 58.4 m-85 -121.7 19.65 11.07 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.574 -179.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.519 ' C ' ' H ' ' A' ' 168' ' ' HIS . 71.1 t -135.06 155.18 37.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 121.146 0.498 . . . . 0.0 111.711 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . 0.463 ' N ' HG12 ' A' ' 166' ' ' VAL . 5.8 m-20 -75.7 32.54 0.11 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.769 179.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.734 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -38.02 -52.3 1.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.921 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . 0.621 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 16.2 mm-40 41.32 15.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.598 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . 0.734 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 143.58 -2.79 1.53 Allowed Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.587 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 56.2 m -114.09 88.74 15.34 Favored Pre-proline 0 CA--C 1.531 0.238 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -78.68 166.81 23.3 Favored 'Trans proline' 0 C--N 1.315 -1.224 0 C-N-CA 122.076 1.851 . . . . 0.0 112.701 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -51.67 146.14 8.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.751 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -124.98 86.78 56.21 Favored Pre-proline 0 CA--C 1.537 0.463 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.272 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -50.95 131.95 36.22 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.289 1.992 . . . . 0.0 112.077 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -99.6 -178.42 3.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.521 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -83.03 100.03 10.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.567 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 143.33 -25.49 2.17 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 2.2 tp -48.57 -52.85 20.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.812 0.339 . . . . 0.0 110.512 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -51.36 -50.07 60.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.582 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -57.68 -61.7 2.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.588 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -44.46 -41.1 6.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.558 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 1.3 m -63.1 -45.82 90.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.637 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -56.46 -34.97 67.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.632 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -73.04 -65.07 0.85 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.505 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 9.0 mt -46.94 -42.17 17.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.574 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 11.0 t -68.64 -37.06 79.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.614 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -55.99 -40.94 83.7 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -69.5 -56.0 8.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.808 0.337 . . . . 0.0 110.555 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -50.48 -36.82 35.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.413 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -70.92 -40.28 72.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.573 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -52.59 -54.61 30.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.569 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . 0.548 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -59.44 -45.34 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.502 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -60.96 -29.55 69.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.457 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 58.1 mm-40 -97.9 88.48 4.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.574 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -60.57 154.61 20.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.591 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -55.71 -88.44 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.571 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 90.38 -68.83 2.37 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.599 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.53 113.79 25.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.624 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.96 -150.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.614 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.2 p -141.88 68.57 23.78 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.559 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -49.03 152.81 4.48 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.703 2.269 . . . . 0.0 112.099 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.05 40.68 1.13 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.597 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.7 t -94.55 110.58 22.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.553 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.58 176.51 17.68 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -75.13 144.84 30.32 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.903 2.402 . . . . 0.0 112.064 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.401 ' HA ' ' HE ' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -109.27 45.44 1.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.528 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER -81.67 56.96 3.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.501 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 12' ' ' LEU . 6.8 mp -94.74 173.3 7.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.427 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.465 ' SD ' ' CE2' ' A' ' 54' ' ' PHE . 53.1 mtm -63.59 167.19 5.92 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.088 179.336 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 0.3 OUTLIER -87.24 145.63 38.29 Favored Pre-proline 0 CA--C 1.536 0.44 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.728 -179.606 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -40.55 -51.33 3.51 Favored 'Trans proline' 0 N--CA 1.492 1.383 0 C-N-CA 122.289 1.993 . . . . 0.0 112.37 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.516 ' CG ' ' N ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -61.9 -49.23 77.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.927 -179.587 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.516 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 3.5 mm -48.68 -53.88 6.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.057 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -58.24 -60.2 4.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.786 0.327 . . . . 0.0 110.559 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.3 p -49.24 -24.21 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.573 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.491 ' OG ' ' N ' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -69.79 -62.78 1.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.761 -179.739 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.605 ' ND2' ' CD2' ' A' ' 22' ' ' PHE . 7.8 p-10 -71.47 0.41 8.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.763 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.605 ' CD2' ' ND2' ' A' ' 21' ' ' ASN . 34.4 m-85 -133.38 22.14 4.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.485 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.29 0.4 10.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.643 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 56.55 173.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.565 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 49.82 35.73 24.82 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.524 ' CD1' ' HE1' ' A' ' 98' ' ' TRP . 10.3 pt -82.17 -167.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.321 . . . . 0.0 110.684 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.45 -39.14 0.02 OUTLIER Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 4.5 tpm_? -161.63 120.03 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.716 0.293 . . . . 0.0 110.476 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -160.0 -79.79 0.05 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.602 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -178.86 111.43 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.583 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.621 HG22 ' CG ' ' A' ' 98' ' ' TRP . 61.8 p -48.8 130.93 18.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.601 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -106.33 141.1 38.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.521 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.547 HD22 ' OE2' ' A' ' 72' ' ' GLU . 12.2 tp -135.52 111.07 9.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.484 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.0 109.47 21.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.245 179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 23.8 p90 -102.22 142.9 32.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.56 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.709 ' OE2' HG21 ' A' ' 164' ' ' THR . 40.9 mt-10 -132.01 143.47 50.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.506 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.746 HG11 ' CE1' ' A' ' 51' ' ' HIS . 13.4 t -111.66 123.01 67.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.548 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -137.52 138.97 40.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.584 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -95.88 145.96 24.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.539 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mp -101.34 121.34 41.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.555 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -135.34 111.71 9.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.659 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.486 ' C ' ' H ' ' A' ' 44' ' ' THR . 11.2 m-20 54.82 43.98 29.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.569 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.77 -26.94 1.11 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.486 ' H ' ' C ' ' A' ' 42' ' ' ASN . 9.4 m -72.37 113.83 9.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.773 0.32 . . . . 0.0 110.524 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 78.1 p -89.85 133.36 34.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.651 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 92.5 t -129.04 125.29 62.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.412 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.07 152.65 21.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.658 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.517 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 0.5 OUTLIER -99.39 157.7 16.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.513 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.83 -50.34 5.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.59 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -100.15 73.93 1.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.335 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.746 ' CE1' HG11 ' A' ' 37' ' ' VAL . 9.3 t-80 -172.85 -7.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.426 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.517 ' NH2' ' O ' ' A' ' 48' ' ' MET . 8.3 ptp180 -100.65 170.89 8.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.56 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.7 176.39 47.19 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 3.9 p90 -141.02 143.39 34.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.686 0.279 . . . . 0.0 110.694 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mp -132.17 163.41 28.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.415 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.578 ' H ' ' CD2' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -135.93 152.7 51.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.541 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.485 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 7.1 p-10 -52.17 152.64 3.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.528 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 57.41 82.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.603 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.13 -133.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.502 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -109.67 173.21 6.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.569 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.1 46.58 2.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.604 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.4 mp -68.58 -34.25 75.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.555 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.543 ' N ' HD12 ' A' ' 63' ' ' LEU . 8.9 mp -61.27 -22.62 65.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.666 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 77.4 m -72.66 0.83 9.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.573 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.504 ' O ' ' N ' ' A' ' 67' ' ' TYR . . . 103.84 -12.87 53.29 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -61.51 74.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.72 0.295 . . . . 0.0 110.576 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.504 ' N ' ' O ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER -115.69 155.93 26.83 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.52 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 48.3 36.07 15.83 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.442 ' CG ' HH11 ' A' ' 69' ' ' ARG . 0.0 OUTLIER -99.97 134.54 42.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.786 0.327 . . . . 0.0 110.563 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.821 ' CE1' HD11 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -98.38 147.58 24.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.588 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -45.01 -45.43 10.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.545 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.547 ' OE2' HD22 ' A' ' 33' ' ' LEU . 5.9 mp0 -42.34 -48.72 5.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.514 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.821 HD11 ' CE1' ' A' ' 70' ' ' HIS . 28.2 mt -65.39 -54.1 33.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.614 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.04 -33.14 10.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.623 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.449 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 6.9 t80 -72.02 -50.03 31.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.681 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.47 -20.1 64.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.873 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.55 -33.88 53.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.119 -179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.652 ' C ' HD12 ' A' ' 78' ' ' LEU . 3.9 pp -98.33 8.22 45.15 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.854 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.569 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -62.99 -41.6 71.89 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 28.9 Cg_exo -58.81 -17.43 36.39 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.107 1.871 . . . . 0.0 111.824 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 85.9 p -59.35 -9.01 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.661 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.606 HD22 ' NE2' ' A' ' 51' ' ' HIS . 12.0 mt -105.67 -47.44 3.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.582 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 65.94 49.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.613 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 37.0 mt -59.53 134.12 56.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.468 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.37 159.27 33.14 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.496 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -70.52 -21.45 29.95 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.436 2.09 . . . . 0.0 112.086 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.31 -83.24 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.638 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.565 ' CD ' ' H ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -82.17 160.43 23.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.659 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.9 mm -89.66 155.03 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.458 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.488 ' HB2' HG22 ' A' ' 120' ' ' VAL . 12.5 m-85 -137.33 167.2 22.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.825 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.7 ttt180 -145.18 116.75 8.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.514 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.1 t -98.58 112.79 31.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.275 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.27 117.62 30.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.628 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -100.99 132.13 46.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.714 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -127.12 103.31 7.37 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.91 146.18 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.132 -177.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.656 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 29.6 p -97.42 -28.84 13.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.817 178.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.621 ' CG ' HG22 ' A' ' 31' ' ' THR . 8.2 m95 -112.22 136.57 51.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.545 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.35 162.53 0.65 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.491 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -69.59 172.93 11.58 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.631 2.22 . . . . 0.0 112.224 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.568 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 20.1 p -111.96 -139.13 0.38 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.455 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.568 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -46.66 95.91 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 179.491 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.891 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 36.9 m -39.36 -25.29 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.687 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.501 ' N ' ' O ' ' A' ' 102' ' ' PHE . 5.7 t90 -85.9 -31.41 22.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.574 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -78.54 -62.08 2.34 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.74 -68.78 0.39 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.785 0.326 . . . . 0.0 111.064 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.891 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -54.45 -58.47 7.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.065 -179.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -42.16 -51.6 5.18 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.42 ' OE2' ' O ' ' A' ' 105' ' ' GLY . 15.3 mt-10 -54.21 -42.71 70.09 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.345 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 100.0 t -68.37 -38.58 79.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.564 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.521 ' NH2' ' OE1' ' A' ' 115' ' ' GLN . 44.8 ttt85 -54.04 -58.99 5.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.425 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.83 -53.87 28.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.42 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.516 ' O ' ' ND2' ' A' ' 117' ' ' ASN . 23.5 t80 -50.41 -36.85 34.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.634 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.464 ' C ' ' N ' ' A' ' 116' ' ' GLU . 3.2 mp -74.72 -58.58 3.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.616 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.521 ' OE1' ' NH2' ' A' ' 111' ' ' ARG . 14.6 mt-30 -47.88 -15.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.317 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.464 ' N ' ' C ' ' A' ' 114' ' ' LEU . 2.6 tp10 -106.41 -46.47 4.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.565 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.516 ' ND2' ' O ' ' A' ' 113' ' ' PHE . 20.7 m-80 -101.38 38.14 1.65 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.81 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -45.49 -15.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.833 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.549 ' CD2' HG23 ' A' ' 120' ' ' VAL . 1.3 p80 -76.21 13.09 0.98 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.52 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.549 HG23 ' CD2' ' A' ' 119' ' ' HIS . 62.8 t -131.13 144.49 37.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.46 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -91.55 148.44 22.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.599 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.497 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -132.29 112.38 12.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.439 -179.793 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.497 ' N ' HD13 ' A' ' 122' ' ' LEU . 59.1 mtp85 -120.39 117.84 28.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.013 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.6 mt -105.3 133.58 49.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.055 0.455 . . . . 0.0 111.092 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -127.75 118.0 22.95 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.75 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -95.49 112.67 24.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.232 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.656 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -84.26 -40.91 17.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.744 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.438 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -138.26 139.02 39.0 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.783 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.523 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 1.1 mt -95.64 120.92 45.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.595 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.523 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 3.7 m-85 -166.52 116.55 0.93 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.382 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -146.96 -174.67 4.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.486 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . 0.419 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 1.3 m-85 -89.14 -12.78 40.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.563 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 132' ' ' TYR . 0.5 OUTLIER -159.65 161.04 27.51 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.446 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.93 44.24 0.51 Allowed 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.494 2.129 . . . . 0.0 111.913 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.8 tp -90.08 -3.66 57.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.712 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -63.51 -28.65 70.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.577 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.86 -53.97 10.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.511 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -50.84 -35.13 30.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.47 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.729 ' HB2' ' OG ' ' A' ' 103' ' ' SER . . . -72.5 -42.12 65.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.569 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.39 -38.4 53.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.445 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.427 ' NE2' ' CG2' ' A' ' 193' ' ' ILE . 49.2 mm-40 -82.57 -60.56 2.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.758 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 3.6 ttt -47.54 -30.96 3.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.688 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 20.4 tp -76.97 -54.28 6.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.484 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.18 -24.25 1.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.673 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -68.26 -1.81 6.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.727 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -104.39 -23.35 13.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.559 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 105.95 -3.66 38.62 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -62.1 156.99 20.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.346 . . . . 0.0 110.482 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -93.64 133.24 37.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.59 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -132.21 110.39 16.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.537 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.52 162.19 37.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.757 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 5.2 mt -87.68 133.18 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.382 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 6.6 tpp -41.61 105.64 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.494 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.07 159.07 20.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.514 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -44.44 -54.71 5.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.65 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -51.62 -50.87 59.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.588 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -57.87 -44.9 86.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.616 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -52.09 -46.53 65.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.59 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 173' ' ' PHE . 1.8 tpmt? -56.71 -48.01 78.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.751 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.639 ' ND1' ' N ' ' A' ' 161' ' ' CYS . 0.1 OUTLIER -64.69 -57.12 9.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.801 -179.699 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.639 ' N ' ' ND1' ' A' ' 160' ' ' HIS . 0.1 OUTLIER -54.42 -23.87 17.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 -179.327 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' TRP . . . . . 0.618 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 6.2 t-105 -75.08 -70.52 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.9 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . 0.618 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 2.1 p30 -62.69 -14.19 41.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.231 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.709 HG21 ' OE2' ' A' ' 36' ' ' GLU . 99.7 m -86.17 -24.49 26.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.458 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -121.3 16.6 11.44 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 121.073 -0.251 . . . . 0.0 111.444 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.474 HG12 ' N ' ' A' ' 168' ' ' HIS . 52.6 t -136.14 142.65 38.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.767 0.317 . . . . 0.0 110.806 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . 0.477 ' C ' ' H ' ' A' ' 169' ' ' GLN . 20.0 p-10 -80.82 42.96 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.953 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.69 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -53.27 -8.52 0.12 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.425 -179.718 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . 0.477 ' H ' ' C ' ' A' ' 167' ' ' ASP . 31.2 mt-30 46.79 13.44 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.749 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . 0.69 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 113.71 37.91 1.24 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.585 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 1.7 m -127.15 81.01 70.74 Favored Pre-proline 0 C--N 1.332 -0.179 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -48.93 148.51 9.04 Favored 'Trans proline' 0 C--N 1.311 -1.445 0 C-N-CA 122.478 2.119 . . . . 0.0 112.278 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.519 ' CE1' ' O ' ' A' ' 174' ' ' GLN . 0.2 OUTLIER -95.61 120.16 35.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.597 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.519 ' O ' ' CE1' ' A' ' 173' ' ' PHE . 21.7 mt-30 -77.51 156.33 80.96 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.364 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.24 140.98 34.92 Favored 'Trans proline' 0 N--CA 1.494 1.511 0 C-N-CA 122.372 2.048 . . . . 0.0 112.143 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 1.2 p90 -83.37 -173.06 4.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.414 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -87.45 86.68 7.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.623 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 144.67 -12.47 1.97 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.4 tt -51.33 -42.41 61.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.771 0.32 . . . . 0.0 110.585 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . 0.45 ' N ' ' OD1' ' A' ' 180' ' ' ASP . 1.8 m-20 -68.03 -61.16 1.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.643 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -46.53 -52.9 12.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.608 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -55.39 -53.61 54.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.515 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 68.1 m -50.21 -37.01 33.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.643 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -73.5 -55.0 6.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.605 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -47.53 -56.02 7.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.494 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 7.4 mt -56.55 -53.8 53.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.496 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 75.4 p -51.82 -29.23 18.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.471 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -66.66 -52.03 37.24 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -59.04 -56.04 27.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.818 0.342 . . . . 0.0 110.547 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -50.01 -59.31 4.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.497 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . 0.417 ' NH1' ' OE1' ' A' ' 197' ' ' GLN . 33.9 ttm-85 -46.74 -49.66 19.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.603 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -55.15 -37.59 67.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.565 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . 0.427 ' CG2' ' NE2' ' A' ' 141' ' ' GLN . 36.5 mt -75.77 -31.9 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.578 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' A' ' 195' ' ' GLN . 5.1 mp -77.58 -30.77 52.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.586 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . 0.423 ' CB ' ' O ' ' A' ' 194' ' ' LEU . 0.0 OUTLIER 75.88 -44.42 0.51 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.607 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 12.6 p-10 -150.24 127.69 11.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.549 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . 0.417 ' OE1' ' NH1' ' A' ' 191' ' ' ARG . 3.3 pt20 -101.09 -32.75 10.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.546 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 178.01 -173.86 46.32 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 1.6 p30 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.639 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 mmt . . . . . 0 N--CA 1.489 1.495 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.591 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 0.7 OUTLIER -152.7 -179.92 8.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.609 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 2' ' ' GLU . . . 73.68 38.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.648 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.572 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -66.4 -43.81 54.5 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.938 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 4' ' ' SER . 58.5 Cg_endo -86.83 176.72 4.44 Favored 'Trans proline' 0 C--N 1.31 -1.473 0 C-N-CA 122.714 2.276 . . . . 0.0 112.155 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 7' ' ' SER . . . -115.12 20.18 15.17 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.583 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.422 ' O ' ' O ' ' A' ' 6' ' ' ALA . 1.8 t 55.82 109.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.644 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.72 173.86 49.56 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -66.62 -52.61 0.71 Allowed 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.739 2.292 . . . . 0.0 112.15 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.401 ' NE ' ' H ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER 40.08 -104.72 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.487 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.468 ' C ' HD22 ' A' ' 12' ' ' LEU . 9.6 t60 -173.33 107.47 0.15 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.409 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.871 HD22 ' N ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -108.63 172.87 6.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.893 -179.861 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 10.0 mtm -88.88 133.19 34.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.197 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.18 145.12 13.68 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.589 -179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -41.02 -55.46 2.07 Favored 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 122.249 1.966 . . . . 0.0 112.248 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -51.03 69.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.152 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mm -48.58 -33.44 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.559 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -77.22 -60.9 2.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.521 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -46.39 -40.89 12.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.581 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.7 t -66.52 -44.3 82.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.56 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.623 ' ND2' ' CE1' ' A' ' 32' ' ' TYR . 9.8 m120 -66.93 -11.53 56.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.64 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -133.23 28.47 4.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.464 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -68.55 118.34 11.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.523 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -41.51 115.62 0.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.52 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.84 81.07 1.39 Allowed Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.77 HD12 ' NE1' ' A' ' 98' ' ' TRP . 4.5 pt -103.56 -173.98 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.84 0.352 . . . . 0.0 110.575 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.416 ' H ' ' H ' ' A' ' 28' ' ' ARG . . . 166.46 9.66 0.03 OUTLIER Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.545 ' O ' ' CZ2' ' A' ' 98' ' ' TRP . 0.0 OUTLIER -79.35 172.42 13.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.917 0.389 . . . . 0.0 110.715 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.458 ' ND1' ' N ' ' A' ' 29' ' ' HIS . 9.2 p-80 -105.79 60.92 0.66 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.934 179.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -150.72 52.71 0.87 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.66 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.6 m -46.21 137.77 5.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.517 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.623 ' CE1' ' ND2' ' A' ' 21' ' ' ASN . 1.3 m-85 -106.79 143.21 35.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.453 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.551 HD22 ' OE2' ' A' ' 72' ' ' GLU . 9.3 tp -135.74 111.95 9.73 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.49 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.414 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -105.49 115.83 30.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.869 179.306 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 26.3 p90 -112.98 147.39 37.24 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.176 -179.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -148.91 137.18 20.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.26 179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -95.84 146.08 7.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.673 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -144.25 118.95 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.394 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -79.52 133.48 36.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.407 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.7 mp -91.79 130.57 37.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.549 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -135.24 102.78 5.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.542 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 55.36 38.6 30.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.625 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.98 -27.13 9.41 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 m -72.16 122.07 20.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.841 0.353 . . . . 0.0 110.524 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 p -91.67 116.86 29.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.605 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.0 t -103.03 100.67 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.549 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -78.65 125.63 29.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.485 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 10.6 mtm -87.9 140.52 29.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.619 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.89 -41.51 13.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.587 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.43 62.72 5.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.436 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.663 ' NE2' HD13 ' A' ' 82' ' ' LEU . 59.9 t-80 -170.95 2.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.517 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.424 ' H ' ' H ' ' A' ' 51' ' ' HIS . 25.6 ptt180 -101.01 151.5 21.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.579 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -159.81 174.85 36.68 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.8 p90 -145.21 141.6 28.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 110.73 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mt -126.96 177.71 6.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.416 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.414 ' O ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -136.43 145.12 44.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.603 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.414 ' O ' ' O ' ' A' ' 56' ' ' HIS . 0.4 OUTLIER -51.4 -175.05 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.584 179.911 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.1 pt20 -42.32 146.88 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.546 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -139.88 -77.57 0.32 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.559 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.3 mmtt -135.68 16.52 3.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.521 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -87.04 33.31 0.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.542 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 62' ' ' LEU . 10.9 mp -85.64 -39.48 17.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.587 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.611 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.7 mp -73.25 -20.13 60.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.58 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 6.9 m -76.98 -15.41 59.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.526 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.5 48.19 1.71 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.577 ' CD1' ' NH1' ' A' ' 69' ' ' ARG . 26.1 m-85 -152.24 71.65 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.754 0.312 . . . . 0.0 110.572 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -93.95 116.39 28.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.551 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.4 69.96 1.21 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.577 ' NH1' ' CD1' ' A' ' 66' ' ' PHE . 4.0 ttt180 -134.23 107.95 7.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.837 0.351 . . . . 0.0 110.567 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.593 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -62.38 159.88 14.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.624 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.51 -31.77 72.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.344 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.551 ' OE2' HD22 ' A' ' 33' ' ' LEU . 20.4 mp0 -53.2 -52.24 59.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.385 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.413 ' N ' HD12 ' A' ' 73' ' ' LEU . 9.7 mp -57.46 -46.43 83.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.294 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -34.43 69.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.555 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.413 ' C ' ' N ' ' A' ' 77' ' ' ASP . 9.6 t80 -74.67 -64.36 1.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.453 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 tp -47.32 -18.99 0.13 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.67 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 75' ' ' PHE . 13.8 t70 -67.0 -53.9 26.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.647 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.6 pp -77.95 -14.38 59.55 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.89 -0.324 . . . . 0.0 111.399 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.424 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 3.8 t -48.26 -59.41 6.02 Favored Pre-proline 0 CA--C 1.534 0.355 0 C-N-CA 120.666 -0.413 . . . . 0.0 111.061 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 9.6 Cg_endo -52.3 -25.97 25.78 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 121.777 1.652 . . . . 0.0 112.057 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.2 p -53.79 -12.23 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.459 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.663 HD13 ' NE2' ' A' ' 51' ' ' HIS . 10.5 mt -94.35 -26.33 16.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.344 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.418 ' CB ' ' O ' ' A' ' 82' ' ' LEU . 5.3 tt0 75.6 28.52 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.655 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 mt -42.4 104.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.325 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -92.43 162.9 28.53 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.735 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.91 4.08 3.42 Favored 'Trans proline' 0 C--N 1.309 -1.54 0 C-N-CA 122.73 2.287 . . . . 0.0 112.279 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -38.75 -63.63 0.5 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.556 ' H ' ' NE2' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -127.87 179.6 5.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.389 179.739 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.2 mm -84.77 152.94 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.043 0.449 . . . . 0.0 110.556 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -135.36 172.09 13.51 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.548 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.617 ' NH1' ' NH2' ' A' ' 123' ' ' ARG . 8.6 ttt180 -149.69 106.7 3.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.595 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.2 t -94.0 115.49 32.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.368 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.48 121.99 42.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.749 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 32.3 m0 -100.78 131.16 46.8 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.455 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -118.79 102.82 9.1 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 178.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.94 148.3 14.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.169 0.509 . . . . 0.0 111.789 -178.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.598 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 15.5 p -96.64 -23.56 16.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.14 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.77 ' NE1' HD12 ' A' ' 26' ' ' ILE . 4.8 m95 -112.11 170.0 8.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.504 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.663 ' OG ' HG23 ' A' ' 129' ' ' ILE . 0.4 OUTLIER -79.79 158.65 72.76 Favored Pre-proline 0 CA--C 1.531 0.217 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.528 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.434 ' O ' ' O ' ' A' ' 99' ' ' SER . 56.2 Cg_exo -42.48 172.92 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.304 0 C-N-CA 122.546 2.164 . . . . 0.0 112.375 179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.407 ' O ' ' CB ' ' A' ' 102' ' ' PHE . 3.4 p -152.33 100.41 2.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.437 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.633 ' HA ' HD23 ' A' ' 135' ' ' LEU . 0.1 OUTLIER 76.27 86.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.388 0.613 . . . . 0.0 109.813 -179.596 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.889 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 92.8 p -51.22 -29.83 15.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.41 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -81.71 -21.44 37.98 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.775 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -84.74 -58.83 2.07 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 11.9 m -78.25 -65.47 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.721 0.296 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.889 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -54.67 -25.36 26.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.708 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -70.59 -57.85 6.3 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -57.73 -40.66 80.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 110.19 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 85.5 t -68.79 -54.02 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.182 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -41.91 -58.79 1.92 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.241 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.85 -40.03 69.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.45 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 117' ' ' ASN . 10.2 t80 -53.96 -40.38 66.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.74 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.44 ' C ' ' N ' ' A' ' 116' ' ' GLU . 25.7 mt -75.62 -55.2 5.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.572 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -46.66 -19.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.254 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.44 ' N ' ' C ' ' A' ' 114' ' ' LEU . 2.5 mt-10 -110.0 -38.61 5.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.644 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.569 ' O ' HG12 ' A' ' 120' ' ' VAL . 50.9 m-80 -132.59 61.73 1.66 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.908 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.26 5.66 3.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.647 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.402 ' CD2' ' C ' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -76.21 5.77 6.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.458 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.569 HG12 ' O ' ' A' ' 117' ' ' ASN . 10.2 p -122.0 142.98 36.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.355 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -91.13 117.03 29.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.357 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.568 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -105.45 120.83 42.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.488 -179.685 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.617 ' NH2' ' NH1' ' A' ' 91' ' ' ARG . 30.6 mtt180 -127.59 131.85 49.89 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.836 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.425 ' CD1' HD12 ' A' ' 122' ' ' LEU . 1.6 mp -106.23 131.86 54.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.693 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.522 ' CE1' ' OE2' ' A' ' 157' ' ' GLU . 63.5 m-85 -125.42 100.77 6.64 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.343 178.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -90.57 107.78 19.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.515 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.598 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -72.52 -39.6 67.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.423 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.544 ' CB ' HD11 ' A' ' 26' ' ' ILE . 5.6 tpp180 -131.95 164.64 25.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.177 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.663 HG23 ' OG ' ' A' ' 99' ' ' SER . 4.8 mp -124.21 114.73 42.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.821 -179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.523 ' CD1' ' O ' ' A' ' 129' ' ' ILE . 27.9 m-85 -153.37 109.1 3.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.434 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -140.84 -177.2 4.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.576 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -106.74 -57.47 2.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.711 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 133' ' ' ASP . 0.0 OUTLIER -98.49 162.62 21.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.573 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -70.67 12.17 0.44 Allowed 'Trans proline' 0 C--N 1.309 -1.507 0 C-N-CA 122.59 2.193 . . . . 0.0 112.202 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.633 HD23 ' HA ' ' A' ' 102' ' ' PHE . 1.1 mp -57.77 -20.13 32.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.63 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.625 ' CD1' ' N ' ' A' ' 137' ' ' LYS . 0.5 OUTLIER -53.88 -31.05 48.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.368 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.625 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 12.6 ttmt -69.34 -39.72 77.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.266 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.65 -26.62 68.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.313 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -70.79 -55.2 9.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.347 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.2 mt -54.14 -31.98 53.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.465 179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' A' ' 137' ' ' LYS . 2.8 mp0 -80.57 -60.7 2.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.677 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.9 mmm -52.44 -21.61 3.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.366 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 9.3 mt -78.44 -59.65 2.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.364 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -49.83 -29.39 7.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.523 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.97 -42.73 47.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.435 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -67.49 -24.0 65.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.507 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 96.89 65.11 0.92 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -136.99 152.36 50.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.749 0.309 . . . . 0.0 110.429 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -91.47 104.89 17.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.667 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -104.31 113.82 42.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.569 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.5 m -151.31 161.53 42.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.516 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -81.93 137.65 20.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.458 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.59 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 5.8 ttm -49.59 143.57 6.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.491 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 33.4 p -110.61 172.36 6.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.557 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -63.84 -41.17 97.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.528 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -62.07 -47.24 85.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.444 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.522 ' OE2' ' CE1' ' A' ' 125' ' ' PHE . 12.6 mt-10 -59.11 -31.77 69.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.454 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.59 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.7 OUTLIER -64.72 -44.0 91.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.446 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -57.66 -47.01 83.47 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.634 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.596 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -70.44 -55.48 8.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.677 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.596 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 9.7 t -54.29 -23.62 15.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' TRP . . . . . 0.63 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.7 t-105 -73.96 -70.3 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.973 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . 0.63 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 3.9 p30 -64.38 -14.32 55.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 -179.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 88.7 m -83.77 -24.92 30.88 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.928 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -121.13 18.74 11.6 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.147 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.501 ' C ' ' H ' ' A' ' 168' ' ' HIS . 72.4 t -139.15 132.63 38.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.859 0.361 . . . . 0.0 110.803 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . 0.5 ' C ' ' H ' ' A' ' 169' ' ' GLN . 2.0 p30 -72.56 41.06 0.09 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.172 0.51 . . . . 0.0 109.763 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.689 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -52.51 -8.72 0.09 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.304 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . 0.5 ' H ' ' C ' ' A' ' 167' ' ' ASP . 39.9 mm-40 46.68 14.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.559 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . 0.689 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 112.58 37.56 1.42 Allowed Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.559 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 2.4 m -127.1 80.64 71.26 Favored Pre-proline 0 C--N 1.333 -0.148 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -52.02 165.39 0.88 Allowed 'Trans proline' 0 C--N 1.31 -1.497 0 C-N-CA 122.616 2.21 . . . . 0.0 112.227 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.533 ' CE2' ' O ' ' A' ' 174' ' ' GLN . 0.0 OUTLIER -122.79 134.46 54.42 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.189 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.533 ' O ' ' CE2' ' A' ' 173' ' ' PHE . 11.1 mt-30 -91.51 152.57 43.67 Favored Pre-proline 0 C--N 1.33 -0.281 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.456 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -71.94 153.69 58.17 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.263 1.976 . . . . 0.0 112.194 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' TRP . . . . . 0.566 ' CE2' ' CD2' ' A' ' 179' ' ' LEU . 14.6 p90 -84.47 132.64 34.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.492 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -45.33 95.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.564 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 176' ' ' TRP . . . 154.05 -15.46 0.59 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . 0.566 ' CD2' ' CE2' ' A' ' 176' ' ' TRP . 0.2 OUTLIER -47.77 -47.9 30.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.768 0.318 . . . . 0.0 110.514 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . 0.405 ' CG ' ' N ' ' A' ' 181' ' ' GLU . 17.7 p-10 -53.08 -53.04 56.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.64 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . 0.405 ' N ' ' CG ' ' A' ' 180' ' ' ASP . 44.9 mt-10 -61.52 -54.05 48.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.756 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -51.87 -60.78 2.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.628 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 92.0 p -45.05 -43.54 9.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.06 -36.53 79.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.541 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -71.77 -58.63 3.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.593 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 42.9 mt -59.43 -61.28 2.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.609 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 24.0 p -49.86 -36.58 27.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -55.65 -51.48 54.66 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . 0.568 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 1.5 mtm180 -59.34 -61.52 2.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.759 0.314 . . . . 0.0 110.694 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.4 tp -45.37 -53.54 8.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.605 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 18.7 mmm-85 -54.6 -29.18 50.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -64.71 -47.85 76.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.456 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . 0.534 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -59.64 -35.2 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.505 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 67.4 mt -77.05 -19.53 57.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.657 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -99.95 91.17 4.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.592 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.11 156.68 16.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.595 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -74.61 148.18 40.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.555 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 136.06 -64.96 0.57 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.444 0 CA-C-O 118.024 -0.988 . . . . 0.0 110.586 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.1 mtt . . . . . 0 N--CA 1.49 1.551 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.8 149.0 41.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.611 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.77 -99.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.572 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.4 m -171.14 69.72 0.5 Allowed Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.541 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -49.02 145.26 14.13 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.861 2.374 . . . . 0.0 112.098 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -151.65 133.13 14.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.521 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.3 p -93.64 125.7 38.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.606 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -154.26 67.74 0.31 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -49.39 111.4 0.49 Allowed 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.799 2.333 . . . . 0.0 112.151 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.7 mtm-85 -149.46 178.36 8.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.568 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.532 ' H ' ' CD2' ' A' ' 11' ' ' HIS . 0.3 OUTLIER -75.15 82.32 2.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.546 179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.664 HD23 ' N ' ' A' ' 166' ' ' VAL . 8.6 mp -107.38 173.65 6.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.243 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.484 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 0.5 OUTLIER -62.71 157.49 20.87 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.63 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.81 150.13 58.37 Favored Pre-proline 0 CA--C 1.534 0.335 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.698 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -41.85 -55.45 2.38 Favored 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.209 1.939 . . . . 0.0 112.148 179.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -52.27 -51.07 60.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.189 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.4 mm -51.69 -34.54 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.859 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -82.44 -61.27 1.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.948 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -52.76 -24.17 8.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.693 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 95.9 p -82.4 -62.76 1.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.713 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.487 ' ND2' ' CE2' ' A' ' 22' ' ' PHE . 2.0 t30 -54.18 -33.37 57.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.553 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.487 ' CE2' ' ND2' ' A' ' 21' ' ' ASN . 56.9 m-85 -103.66 24.49 11.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.574 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -68.46 74.05 0.24 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.537 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 m120 46.72 -136.5 0.79 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.542 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.68 136.95 48.81 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.3 pt -134.28 -175.58 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.654 0.264 . . . . 0.0 110.352 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 175.57 44.97 0.06 OUTLIER Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.778 ' HE ' ' H ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -125.99 142.06 51.68 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.871 0.367 . . . . 0.0 110.166 179.523 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.412 ' ND1' ' N ' ' A' ' 29' ' ' HIS . 7.7 m80 -63.61 80.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.763 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -166.9 36.96 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.592 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.784 HG22 ' CD2' ' A' ' 98' ' ' TRP . 3.1 p -46.52 155.79 0.21 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -122.26 145.13 48.51 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.719 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.705 HD22 ' OE2' ' A' ' 72' ' ' GLU . 7.2 tp -139.94 111.97 7.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.146 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.435 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -104.25 131.91 51.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.089 179.592 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.599 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 10.3 p90 -127.28 135.37 50.48 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.128 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.494 ' OE1' HG21 ' A' ' 164' ' ' THR . 0.1 OUTLIER -135.98 136.96 40.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.898 179.443 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -95.52 144.29 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.005 0.431 . . . . 0.0 110.9 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -147.1 118.39 7.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.347 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.5 ptt85 -86.75 148.75 25.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.476 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.9 mt -103.6 99.46 9.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.607 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.62 100.48 12.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.594 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.487 HD22 ' N ' ' A' ' 42' ' ' ASN . 1.1 m-80 50.53 58.02 5.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.64 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 71.85 -6.51 9.32 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.97 102.5 15.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 110.58 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.33 103.58 3.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.563 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.7 t -101.29 106.34 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.566 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -80.86 137.7 36.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.451 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.5 mtm -102.33 141.62 34.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.694 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -92.34 -50.47 5.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.616 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -76.72 49.81 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.306 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.765 ' NE2' HD12 ' A' ' 82' ' ' LEU . 40.2 t-80 -169.91 67.02 0.05 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.22 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.635 ' NH2' HD21 ' A' ' 12' ' ' LEU . 25.2 ptt85 -166.89 167.55 14.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.289 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -168.67 -174.88 37.72 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.476 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 9.6 p90 -152.7 135.84 15.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.689 0.28 . . . . 0.0 110.707 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mp -126.05 163.15 23.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.461 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -128.8 143.58 50.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.488 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.417 ' ND2' ' H ' ' A' ' 59' ' ' ALA . 1.9 t30 -59.93 159.12 9.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.552 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.416 ' N ' ' CG ' ' A' ' 57' ' ' ASN . 46.9 tt0 -138.5 54.76 1.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.547 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.417 ' H ' ' ND2' ' A' ' 57' ' ' ASN . . . -72.19 93.47 1.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -172.52 94.97 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.659 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.539 ' O ' ' N ' ' A' ' 65' ' ' GLY . 42.3 t30 -83.96 109.26 17.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.335 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.652 ' H ' HD12 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -45.72 -13.73 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.865 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.676 ' N ' HD12 ' A' ' 63' ' ' LEU . 8.2 mp -88.63 -52.09 5.34 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.123 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.22 -32.5 5.96 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.944 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 61' ' ' ASN . . . 86.94 49.68 3.97 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -155.3 -66.63 0.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.773 0.321 . . . . 0.0 110.723 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.621 ' CG ' ' N ' ' A' ' 68' ' ' GLY . 2.0 t80 -49.1 160.55 0.2 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.667 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.621 ' N ' ' CG ' ' A' ' 67' ' ' TYR . . . 165.56 -159.23 32.37 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -137.34 131.54 32.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 0.0 110.496 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.693 ' H ' ' CD2' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -69.62 156.04 39.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.513 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.16 -29.13 65.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.455 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.705 ' OE2' HD22 ' A' ' 33' ' ' LEU . 3.4 mp0 -51.2 -47.07 62.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.612 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 25.2 mt -69.47 -58.07 4.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.807 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 48.8 mtt-85 -44.2 -43.72 7.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.691 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.599 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 32.5 t80 -61.58 -51.18 69.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.593 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.5 tp -56.59 -19.47 16.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.471 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.9 -45.2 68.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.476 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.85 3.81 55.01 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.304 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.455 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.6 t -55.72 -49.19 94.21 Favored Pre-proline 0 CA--C 1.535 0.388 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.077 179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.455 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 36.4 Cg_endo -70.66 -16.47 33.78 Favored 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 121.337 1.358 . . . . 0.0 111.745 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.2 p -56.75 -22.09 33.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.216 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.765 HD12 ' NE2' ' A' ' 51' ' ' HIS . 4.0 mm? -72.42 -38.9 68.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.178 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.486 ' CB ' ' O ' ' A' ' 82' ' ' LEU . 4.0 tt0 81.59 46.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.877 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.414 HD23 ' CE2' ' A' ' 90' ' ' TYR . 1.3 mp -68.06 155.95 38.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.21 179.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -122.26 159.05 53.85 Favored Pre-proline 0 CA--C 1.53 0.181 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.567 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_endo -74.84 -1.98 11.9 Favored 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.46 2.107 . . . . 0.0 112.227 179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.474 ' HB1' ' NE2' ' A' ' 88' ' ' GLN . . . -40.1 -77.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.786 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.596 ' N ' ' NE2' ' A' ' 88' ' ' GLN . 0.2 OUTLIER -107.98 179.84 4.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.322 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.0 mm -84.62 153.33 3.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.377 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.604 ' HB2' HG22 ' A' ' 120' ' ' VAL . 20.5 m-85 -126.12 143.79 50.99 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.914 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.714 HH12 HE22 ' A' ' 149' ' ' GLN . 1.6 ttt-85 -128.59 103.9 7.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.497 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.2 t -95.41 127.54 47.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.055 0.455 . . . . 0.0 110.432 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.3 120.55 39.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.972 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -100.84 132.51 46.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.252 179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -124.84 103.71 8.22 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.81 146.5 16.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.255 -0.43 . . . . 0.0 112.05 -177.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.675 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 0.4 OUTLIER -96.9 -25.69 15.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.756 178.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.784 ' CD2' HG22 ' A' ' 31' ' ' THR . 19.9 m95 -112.87 143.56 43.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.111 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.433 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.4 OUTLIER -74.79 164.51 60.89 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.605 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' A' ' 99' ' ' SER . 71.1 Cg_exo -42.27 171.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.31 -1.469 0 C-N-CA 122.549 2.166 . . . . 0.0 112.202 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -124.05 -48.53 1.87 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.299 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.525 ' O ' ' N ' ' A' ' 105' ' ' GLY . 2.4 t80 -140.38 106.56 5.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.829 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.881 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 89.1 p -40.5 -35.25 0.43 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.046 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -84.78 -23.68 29.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.312 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -84.79 -62.0 1.72 Allowed Glycine 0 CA--C 1.526 0.745 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.236 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.69 -62.84 1.31 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.654 0.264 . . . . 0.0 110.966 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.881 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -57.42 -37.75 73.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.92 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -56.59 -62.71 6.05 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -51.46 -41.13 60.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.766 0.317 . . . . 0.0 110.712 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 92.8 t -68.2 -34.96 69.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.702 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -62.45 -58.95 5.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.567 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -48.96 -51.45 30.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.402 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.52 ' O ' ' N ' ' A' ' 117' ' ' ASN . 41.3 t80 -52.78 -47.83 67.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.592 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.408 ' C ' ' N ' ' A' ' 116' ' ' GLU . 2.1 mt -63.33 -58.69 6.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.717 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -48.06 -19.6 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.547 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 114' ' ' LEU . 4.2 tp10 -107.61 -27.31 10.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 113' ' ' PHE . 33.7 m120 -117.51 40.1 3.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 -179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 16.2 p -45.14 -22.57 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.795 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.78 ' CD2' HG23 ' A' ' 120' ' ' VAL . 0.1 OUTLIER -77.67 8.9 3.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.931 0.396 . . . . 0.0 110.508 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.78 HG23 ' CD2' ' A' ' 119' ' ' HIS . 40.2 t -135.24 97.54 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.545 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -96.59 148.89 22.37 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.595 HD12 ' O ' ' A' ' 122' ' ' LEU . 0.3 OUTLIER -143.62 153.31 42.39 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.858 -179.678 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.617 ' C ' HD12 ' A' ' 124' ' ' ILE . 7.9 ttp180 -114.35 146.51 40.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.079 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.617 HD12 ' C ' ' A' ' 123' ' ' ARG . 1.8 mp -112.82 140.02 34.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.097 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -127.5 99.03 5.44 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.167 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -78.54 114.33 17.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.602 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.675 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -85.24 -42.48 14.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.653 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.48 HH22 ' CE1' ' A' ' 182' ' ' HIS . 0.1 OUTLIER -137.07 152.96 50.64 Favored 'General case' 0 N--CA 1.462 0.161 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.959 -179.769 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -113.69 132.37 62.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.487 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -177.63 126.14 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.502 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.457 ' C ' ' H ' ' A' ' 133' ' ' ASP . 0.6 OUTLIER 174.59 133.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.527 -179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.72 10.22 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.498 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.513 ' C ' ' H ' ' A' ' 135' ' ' LEU . 69.3 m-20 -124.8 79.86 63.32 Favored Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.541 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.5 ' C ' ' H ' ' A' ' 136' ' ' TYR . 51.4 Cg_exo -51.61 -1.81 0.06 OUTLIER 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.723 2.282 . . . . 0.0 112.622 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.513 ' H ' ' C ' ' A' ' 133' ' ' ASP . 2.1 mt -54.36 -6.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.735 0.303 . . . . 0.0 110.727 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.503 ' CG ' ' N ' ' A' ' 137' ' ' LYS . 0.4 OUTLIER -43.04 -38.7 2.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.87 -179.854 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.503 ' N ' ' CG ' ' A' ' 136' ' ' TYR . 2.6 ptpt -51.11 -60.4 3.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.495 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -54.73 -36.64 64.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.483 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.53 -30.93 71.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.563 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.441 HD11 HG11 ' A' ' 150' ' ' VAL . 0.1 OUTLIER -69.42 -49.15 57.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.474 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.69 -53.29 14.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.509 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -45.34 -54.92 6.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.389 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 36.7 tp -56.83 -44.38 82.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.577 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -55.37 -23.64 25.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.621 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -84.81 3.15 39.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -101.62 -15.03 17.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.563 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 106.81 -26.78 18.4 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -56.95 158.25 5.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 0.0 110.515 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.714 HE22 HH12 ' A' ' 91' ' ' ARG . 0.3 OUTLIER -104.61 146.13 29.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.664 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.441 HG11 HD11 ' A' ' 140' ' ' LEU . 46.6 t -132.09 126.67 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.496 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.26 161.92 41.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.628 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.493 HG21 ' OG ' ' A' ' 187' ' ' SER . 1.1 tp -87.11 149.94 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.424 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 8.6 mmm -56.89 153.88 10.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.801 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 21.5 p -132.15 142.52 49.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.319 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -40.69 -47.13 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.688 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.46 -53.93 52.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.461 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -54.41 -33.33 59.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.391 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.7 -39.47 94.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.33 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -61.24 -45.55 94.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.462 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.6 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -70.12 -53.23 18.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.445 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.6 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 4.6 t -58.35 -23.55 57.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.655 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' TRP . . . . . 0.572 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 4.8 t-105 -71.74 -64.75 0.87 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . 0.572 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -69.1 -14.22 62.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.385 -179.208 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.518 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 96.3 m -85.02 -23.71 28.52 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.323 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.484 ' O ' ' SD ' ' A' ' 13' ' ' MET . 11.2 m-85 -121.54 18.76 11.26 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.524 -179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.664 ' N ' HD23 ' A' ' 12' ' ' LEU . 88.5 t -137.54 132.84 45.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.246 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' A' ' 169' ' ' GLN . 1.4 p-10 -73.68 36.36 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.168 0.509 . . . . 0.0 109.901 179.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.706 ' CG ' ' H ' ' A' ' 171' ' ' CYS . 0.3 OUTLIER -49.25 -11.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.932 -179.601 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . 0.483 ' H ' ' C ' ' A' ' 167' ' ' ASP . 1.9 mt-30 49.3 9.75 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.922 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . 0.652 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 122.18 37.74 0.63 Allowed Glycine 0 CA--C 1.528 0.852 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.706 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.6 OUTLIER -127.54 88.81 52.77 Favored Pre-proline 0 CA--C 1.536 0.414 0 N-CA-C 110.501 -0.185 . . . . 0.0 110.501 179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -75.39 131.97 14.41 Favored 'Trans proline' 0 C--N 1.315 -1.22 0 C-N-CA 121.73 1.62 . . . . 0.0 112.171 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.528 ' O ' ' CD1' ' A' ' 173' ' ' PHE . 0.0 OUTLIER -81.68 146.0 30.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.786 -179.657 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.485 ' O ' ' CE2' ' A' ' 173' ' ' PHE . 0.0 OUTLIER -94.46 157.27 37.56 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.445 -179.759 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -69.19 132.36 24.06 Favored 'Trans proline' 0 N--CA 1.492 1.441 0 C-N-CA 122.489 2.126 . . . . 0.0 112.054 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -70.32 153.73 42.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.58 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.85 86.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.536 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 158.3 -25.84 0.4 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . 0.474 ' O ' HD23 ' A' ' 179' ' ' LEU . 0.7 OUTLIER -41.78 -43.75 3.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.832 0.349 . . . . 0.0 110.606 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.19 -62.77 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.666 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -58.75 -55.28 37.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.497 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' HIS . . . . . 0.48 ' CE1' HH22 ' A' ' 128' ' ' ARG . 16.6 m-70 -45.4 -54.01 7.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.506 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 63.5 p -50.72 -48.59 58.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.626 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -60.8 -37.13 80.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.584 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -70.91 -65.18 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.615 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 3.5 mt -52.18 -52.56 51.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.581 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . 0.493 ' OG ' HG21 ' A' ' 152' ' ' ILE . 8.7 m -60.51 -37.79 82.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.537 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -53.02 -53.92 31.5 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -56.5 -50.67 71.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.843 0.354 . . . . 0.0 110.612 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -59.7 -29.48 68.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.482 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 13.6 ttm-85 -78.69 -20.43 50.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -80.34 -51.3 9.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.653 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . 0.583 HG23 ' N ' ' A' ' 194' ' ' LEU . 16.1 tt -62.27 -46.41 96.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.586 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.583 ' N ' HG23 ' A' ' 193' ' ' ILE . 4.0 mt -49.03 -31.53 7.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.522 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 70.91 -61.28 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.63 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -82.73 -131.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.551 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 53.94 35.44 21.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 179.06 62.4 0.07 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.56 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.414 -0.588 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -66.57 -162.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.522 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -147.21 111.13 5.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.524 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.06 162.8 48.24 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.432 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.59 ' O ' ' HB2' ' A' ' 6' ' ' ALA . 40.3 Cg_endo -69.82 -83.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 122.624 2.216 . . . . 0.0 112.143 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.59 ' HB2' ' O ' ' A' ' 5' ' ' PRO . . . 168.49 104.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.512 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.8 t -68.64 -3.09 10.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.55 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.37 58.01 7.68 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -70.01 148.92 64.49 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.744 2.296 . . . . 0.0 112.05 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.486 ' C ' ' CG ' ' A' ' 11' ' ' HIS . 14.1 mtm180 -135.81 -174.31 3.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.465 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.594 ' N ' ' CD2' ' A' ' 11' ' ' HIS . 0.9 OUTLIER 77.1 33.77 0.42 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.665 0.745 . . . . 0.0 109.119 -179.537 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.617 HD12 ' C ' ' A' ' 166' ' ' VAL . 0.1 OUTLIER -100.04 166.68 10.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.471 -1.24 . . . . 0.0 109.394 -179.061 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.6 ptp -62.09 168.02 3.57 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.824 -179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.91 154.83 75.51 Favored Pre-proline 0 CA--C 1.536 0.416 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.069 -178.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -43.21 -56.06 2.5 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.552 2.168 . . . . 0.0 112.455 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.45 -51.01 71.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.853 -179.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.2 mm -48.95 -31.39 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.681 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -82.44 -61.04 2.0 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.68 -33.28 22.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.719 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.3 p -80.67 -36.56 32.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.457 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.536 ' ND2' ' CG ' ' A' ' 32' ' ' TYR . 10.9 t30 -67.66 -35.03 78.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.56 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -105.22 18.35 22.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.591 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -43.79 113.93 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.597 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.451 ' OD1' ' NH1' ' A' ' 128' ' ' ARG . 12.0 t30 -46.26 118.33 1.89 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.619 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.46 98.61 0.04 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.463 HD11 ' CD2' ' A' ' 130' ' ' TYR . 1.2 pp -111.18 -175.68 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 120.859 0.362 . . . . 0.0 110.636 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.09 -8.89 0.07 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.521 ' CD ' ' H ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -83.49 173.13 11.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.828 0.347 . . . . 0.0 110.787 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -107.54 69.52 0.75 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.558 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.414 ' HZ3' ' HB3' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -136.44 51.24 2.01 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.782 0.325 . . . . 0.0 110.582 179.846 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.776 HG22 ' CD2' ' A' ' 98' ' ' TRP . 71.5 p -46.5 131.92 10.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.708 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.536 ' CG ' ' ND2' ' A' ' 21' ' ' ASN . 0.5 OUTLIER -107.67 142.87 36.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.832 -179.828 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.657 HD23 ' C ' ' A' ' 33' ' ' LEU . 6.1 tt -139.31 116.18 10.88 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.527 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -105.65 147.04 28.93 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.412 179.853 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -134.69 140.57 46.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.068 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -144.15 129.38 18.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.298 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.408 ' CG1' ' SD ' ' A' ' 48' ' ' MET . 1.4 p -99.4 142.87 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.794 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -140.09 129.57 24.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.374 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -80.75 134.1 35.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.54 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mp -96.4 130.78 43.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.478 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -151.46 107.33 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.484 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.1 m120 52.9 46.74 26.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.538 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.64 14.21 66.95 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 m -103.22 106.81 17.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.713 0.292 . . . . 0.0 110.597 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.411 ' O ' ' OG ' ' A' ' 45' ' ' SER . 0.0 OUTLIER -82.32 107.74 15.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.576 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.427 ' O ' HG12 ' A' ' 46' ' ' VAL . 25.5 t -102.78 98.42 6.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.579 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.7 mttp -70.26 128.42 36.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.549 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.518 ' O ' ' NE ' ' A' ' 52' ' ' ARG . 56.9 mtt -66.06 163.02 18.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.494 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.47 -49.96 4.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.507 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -108.7 77.08 1.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.532 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.408 ' ND1' ' O ' ' A' ' 51' ' ' HIS . 53.0 t-80 -167.78 1.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.635 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.6 ' NH1' HG21 ' A' ' 164' ' ' THR . 10.5 mtt180 -100.71 135.33 42.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.377 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.57 -166.18 14.41 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -167.53 140.83 3.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.74 0.305 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.1 mt -122.04 178.37 4.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.382 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.543 ' C ' ' HB2' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -139.23 153.6 47.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.553 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.45 ' N ' ' HB2' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -42.06 132.33 3.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.533 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.521 ' OE1' ' NE ' ' A' ' 74' ' ' ARG . 11.2 tt0 -99.74 163.13 12.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.655 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -152.2 -139.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.556 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt 54.28 178.13 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.535 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 64' ' ' CYS . 2.6 m-80 43.1 28.01 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.547 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.579 ' H ' HD12 ' A' ' 62' ' ' LEU . 0.6 OUTLIER -41.49 -38.41 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.541 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.409 ' C ' ' H ' ' A' ' 65' ' ' GLY . 1.6 mt -61.81 -40.19 94.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.542 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 61' ' ' ASN . 19.9 t -65.57 -0.07 1.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.514 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 63' ' ' LEU . . . 88.63 23.75 35.36 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -94.82 9.73 37.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 0.0 110.58 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -42.2 111.88 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.567 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 41.0 75.27 0.13 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.97 135.17 34.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.851 0.358 . . . . 0.0 110.599 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -74.6 126.28 30.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.518 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.543 ' HB2' ' C ' ' A' ' 56' ' ' HIS . . . -50.19 -30.82 12.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.588 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -54.1 -64.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.653 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.4 mt -42.9 -41.08 3.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.684 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.521 ' NE ' ' OE1' ' A' ' 58' ' ' GLN . 10.5 ttt180 -63.06 -41.03 99.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.636 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.413 ' CE1' ' CG2' ' A' ' 79' ' ' VAL . 2.0 t80 -65.87 -45.54 81.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.598 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.584 HD22 ' OE1' ' A' ' 109' ' ' GLU . 2.6 tp -65.18 -20.14 66.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.588 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -69.39 -33.11 72.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.185 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.679 ' C ' HD12 ' A' ' 78' ' ' LEU . 3.7 pp -103.39 3.0 34.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.704 0.287 . . . . 0.0 111.03 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.432 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.5 t -55.93 -48.89 95.75 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 43.4 Cg_endo -73.49 -17.24 23.87 Favored 'Trans proline' 0 N--CA 1.489 1.26 0 C-N-CA 121.471 1.448 . . . . 0.0 111.817 -179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.57 -11.71 54.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.338 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.3 mt -85.59 6.22 28.25 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.526 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 46.38 41.02 8.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.695 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.7 mt -40.96 145.56 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.52 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -116.78 84.98 16.38 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.483 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.468 ' O ' ' N ' ' A' ' 88' ' ' GLN . 50.6 Cg_exo -50.76 -10.89 0.33 Allowed 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.335 2.024 . . . . 0.0 112.159 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.74 -23.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.456 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.468 ' N ' ' O ' ' A' ' 86' ' ' PRO . 0.2 OUTLIER -139.57 178.87 6.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.342 179.876 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.1 mm -89.12 156.29 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.628 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -146.84 179.1 7.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.431 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -148.16 115.62 6.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.88 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.0 t -94.02 108.77 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.143 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.13 117.25 27.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.788 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -102.53 131.47 49.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.605 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.403 ' CE2' ' SG ' ' A' ' 161' ' ' CYS . 48.9 m-85 -124.64 102.95 7.86 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 178.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.85 141.81 23.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.72 -178.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.652 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 1.8 p -96.1 -23.05 16.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.676 179.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.776 ' CD2' HG22 ' A' ' 31' ' ' THR . 18.5 m95 -115.41 135.08 54.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.582 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.65 162.15 0.31 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.418 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -68.49 159.57 52.9 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.555 2.17 . . . . 0.0 112.097 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.6 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 10.4 p -100.83 -149.13 0.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.493 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.6 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -41.23 107.72 0.08 Allowed 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.202 0.525 . . . . 0.0 109.806 179.583 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.526 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 97.9 p -41.54 -24.56 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.624 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.452 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.2 OUTLIER -84.81 -26.26 27.6 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.857 -0.337 . . . . 0.0 111.573 -179.311 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -84.86 -61.9 1.73 Allowed Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . 0.561 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.9 OUTLIER -75.66 -61.75 1.81 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.645 0.26 . . . . 0.0 111.655 -179.281 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -68.85 -35.6 77.13 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.253 -179.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -64.47 -60.27 7.26 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.584 ' OE1' HD22 ' A' ' 76' ' ' LEU . 1.0 OUTLIER -58.41 -29.11 65.83 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.313 -179.889 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 106' ' ' CYS . 39.4 t -75.77 -36.43 33.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.116 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -62.84 -58.97 5.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.125 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.51 -50.93 51.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.274 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -50.44 -37.8 39.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.256 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.482 HD11 ' CB ' ' A' ' 122' ' ' LEU . 2.1 mt -73.66 -58.35 3.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.35 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -46.7 -16.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.409 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.464 ' N ' ' C ' ' A' ' 114' ' ' LEU . 1.7 tm-20 -107.91 -44.49 4.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.61 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.491 ' O ' ' N ' ' A' ' 119' ' ' HIS . 2.0 m-80 -98.89 35.43 1.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.77 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.443 ' C ' ' H ' ' A' ' 120' ' ' VAL . 0.0 OUTLIER -45.53 -15.66 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.831 -179.781 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.529 ' O ' ' ND1' ' A' ' 119' ' ' HIS . 4.7 p80 -76.23 17.1 0.38 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.958 0.409 . . . . 0.0 110.289 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.443 ' H ' ' C ' ' A' ' 118' ' ' THR . 42.7 t -139.37 140.33 37.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.374 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.57 ' NH1' ' NE2' ' A' ' 149' ' ' GLN . 3.1 mmp_? -91.52 120.28 32.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.442 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.487 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -99.14 112.33 24.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.567 -179.665 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.487 ' N ' HD13 ' A' ' 122' ' ' LEU . 35.8 mtp180 -117.08 118.82 33.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.141 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 11.3 mt -105.49 137.09 36.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.025 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -130.61 110.53 11.47 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.611 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -89.6 113.66 25.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.358 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.652 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -85.17 -45.39 12.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.784 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.515 ' NH2' HD11 ' A' ' 186' ' ' LEU . 0.0 OUTLIER -131.86 142.61 49.74 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-O 120.872 0.367 . . . . 0.0 110.725 179.897 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.8 mt -103.81 107.49 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.545 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.463 ' CD2' HD11 ' A' ' 26' ' ' ILE . 6.0 m-85 -148.76 117.53 6.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.586 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -146.22 -168.01 2.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.525 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -104.87 -23.56 12.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.691 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.468 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.2 OUTLIER -143.58 160.95 49.15 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.547 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.18 25.13 0.19 Allowed 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 122.606 2.204 . . . . 0.0 112.205 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.468 ' H ' ' C ' ' A' ' 133' ' ' ASP . 4.7 tt -61.44 -23.94 66.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.53 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.595 ' CD1' ' N ' ' A' ' 137' ' ' LYS . 0.6 OUTLIER -48.15 -27.92 2.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.585 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.595 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 28.3 tttt -61.68 -61.82 2.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.564 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -49.64 -41.75 43.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.527 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -60.19 -46.05 91.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.546 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.66 -53.07 26.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.02 -35.47 76.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.609 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -34.61 72.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.655 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 146' ' ' ALA . 7.6 mt -75.68 -51.09 13.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.578 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.43 HH21 ' CG ' ' A' ' 197' ' ' GLN . 40.6 ttt-85 -44.88 -38.6 4.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.531 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.75 -26.93 60.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.596 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -77.99 -4.37 46.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.607 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 69.06 8.58 58.61 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -75.52 150.5 38.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 110.55 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.57 ' NE2' ' NH1' ' A' ' 121' ' ' ARG . 3.8 mt-30 -83.62 128.46 34.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.569 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.06 118.45 37.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.454 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.33 162.07 38.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.608 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.515 ' O ' HG23 ' A' ' 152' ' ' ILE . 1.1 tp -88.38 125.75 41.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.5 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.584 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 9.1 ttt -42.33 115.17 0.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.592 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 41.9 p -98.85 174.07 6.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.562 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.1 -40.51 94.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.663 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -58.88 -58.67 7.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.344 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.457 ' OE1' ' CA ' ' A' ' 157' ' ' GLU . 0.0 OUTLIER -51.9 -35.02 44.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.225 179.821 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.584 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 0.7 OUTLIER -62.83 -55.05 29.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.371 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -43.93 -47.82 8.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.623 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.422 ' O ' ' OG1' ' A' ' 164' ' ' THR . 0.0 OUTLIER -69.11 -46.36 67.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.934 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.403 ' SG ' ' CE2' ' A' ' 95' ' ' PHE . 0.8 OUTLIER -60.29 -64.21 1.03 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.943 -179.545 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' TRP . . . . . 0.478 ' CD1' ' N ' ' A' ' 173' ' ' PHE . 1.2 t-105 -50.86 -32.85 21.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -75.92 -39.44 56.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.137 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.6 HG21 ' NH1' ' A' ' 52' ' ' ARG . 1.7 m -87.21 -16.1 36.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.173 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -107.48 17.08 23.17 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -178.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.617 ' C ' HD12 ' A' ' 12' ' ' LEU . 45.1 t -143.4 112.73 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 C-N-CA 120.529 -0.469 . . . . 0.0 111.105 179.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . 0.479 ' HB3' ' H ' ' A' ' 12' ' ' LEU . 24.4 p-10 -72.36 52.66 0.27 Allowed 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.95 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.52 ' CE1' ' O ' ' A' ' 171' ' ' CYS . 2.8 p-80 -93.99 -25.87 17.05 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.358 -0.537 . . . . 0.0 111.112 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 168' ' ' HIS . 59.5 mm-40 37.41 74.24 0.08 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.086 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 138.87 -17.48 3.22 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.97 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.52 ' O ' ' CE1' ' A' ' 168' ' ' HIS . 5.2 t -113.35 88.47 12.95 Favored Pre-proline 0 CA--C 1.534 0.339 0 CA-C-N 116.854 0.327 . . . . 0.0 110.943 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -79.14 166.66 22.6 Favored 'Trans proline' 0 C--N 1.314 -1.245 0 C-N-CA 122.001 1.801 . . . . 0.0 112.043 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.478 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 29.4 t80 -51.63 134.11 30.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -118.7 84.9 26.08 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.474 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_exo -48.18 131.27 21.89 Favored 'Trans proline' 0 N--CA 1.493 1.446 0 C-N-CA 122.265 1.977 . . . . 0.0 112.206 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 12.6 p90 -104.06 163.8 12.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.475 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -65.51 102.1 0.67 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.548 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 141.93 -29.71 2.19 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 1.4 tp -53.52 -28.15 29.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.747 0.308 . . . . 0.0 110.541 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . 0.417 ' CG ' ' H ' ' A' ' 181' ' ' GLU . 7.3 p-10 -74.9 -62.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.67 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . 0.417 ' H ' ' CG ' ' A' ' 180' ' ' ASP . 32.6 mt-10 -52.73 -51.38 60.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.614 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 44.4 m-70 -51.21 -57.47 8.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.584 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 60.7 p -54.86 -31.97 60.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.634 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -63.57 -38.15 90.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.603 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -67.83 -53.5 26.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.636 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . 0.515 HD11 ' NH2' ' A' ' 128' ' ' ARG . 37.0 mt -59.38 -54.29 48.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.633 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 87.8 p -51.05 -36.56 40.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.553 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -66.8 -39.54 93.54 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 21.2 ttt180 -57.66 -47.68 81.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.33 . . . . 0.0 110.576 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.83 -43.44 98.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.57 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -70.74 -16.32 62.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.595 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -81.43 -38.26 26.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.597 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 3.4 tt -90.75 -26.64 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.656 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 2.6 tp -90.73 17.26 7.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.603 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -42.96 -51.91 5.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.535 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -51.51 141.44 15.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.623 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . 0.43 ' CG ' HH21 ' A' ' 144' ' ' ARG . 4.0 tp60 65.26 -147.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.548 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 76.52 -19.44 3.13 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 199' ' ' ASN . . . . . 0.415 ' H ' ' C ' ' A' ' 197' ' ' GLN . 63.9 t30 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.556 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mtm . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 64.81 131.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.512 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.72 -66.82 0.45 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.499 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.3 p -173.13 67.32 0.36 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.557 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -48.15 -63.11 0.34 Allowed 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.719 2.279 . . . . 0.0 112.139 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 50.57 95.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.563 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.7 p -68.32 -100.56 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.532 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -141.37 174.04 23.09 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -74.4 125.28 9.53 Favored 'Trans proline' 0 C--N 1.306 -1.705 0 C-N-CA 122.887 2.391 . . . . 0.0 112.108 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.433 ' O ' ' O ' ' A' ' 11' ' ' HIS . 9.6 tpt180 -137.73 69.39 1.4 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.486 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.433 ' O ' ' O ' ' A' ' 10' ' ' ARG . 5.8 t60 40.36 95.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.77 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.86 HD22 ' N ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -104.79 174.07 6.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.284 179.686 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.5 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -69.41 169.13 12.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.617 179.381 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.53 ' O ' ' N ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -73.32 123.19 89.23 Favored Pre-proline 0 CA--C 1.539 0.537 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.877 -179.289 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.438 ' O ' ' OG1' ' A' ' 19' ' ' THR . 80.9 Cg_exo -42.04 -17.64 0.07 OUTLIER 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 121.925 1.75 . . . . 0.0 112.138 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 14' ' ' ASP . 9.1 t60 -77.55 -57.8 3.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.648 -179.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.6 pp -57.0 -21.26 14.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 120.741 -0.383 . . . . 0.0 110.38 -178.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -77.14 -60.98 2.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.451 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -55.63 -24.12 31.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.607 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 m -85.39 -46.91 10.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.731 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.465 ' OD1' ' CE1' ' A' ' 32' ' ' TYR . 10.6 m120 -65.0 -9.94 25.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.744 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -130.37 27.07 5.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.574 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.06 4.01 6.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.548 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 61.54 150.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.546 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 53.04 97.94 0.01 OUTLIER Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -148.04 169.85 3.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.874 0.368 . . . . 0.0 110.652 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.59 16.09 0.96 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.42 HH21 HD22 ' A' ' 21' ' ' ASN . 0.3 OUTLIER -99.53 154.84 17.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.821 0.343 . . . . 0.0 110.742 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.3 m80 -87.94 99.47 12.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.696 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 45.4 tttt -173.0 34.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.393 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.78 HG22 ' CD2' ' A' ' 98' ' ' TRP . 2.7 p -46.71 160.68 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.004 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.465 ' CE1' ' OD1' ' A' ' 21' ' ' ASN . 1.0 OUTLIER -134.59 145.04 48.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.285 179.662 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.672 HD23 ' C ' ' A' ' 33' ' ' LEU . 6.6 tt -139.19 123.1 17.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.693 -179.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.594 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -111.88 116.51 30.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.398 179.64 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.508 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 4.4 p90 -109.68 143.36 39.56 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.733 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -132.91 160.08 38.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.297 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.607 HG21 ' CE1' ' A' ' 51' ' ' HIS . 27.3 t -129.7 130.77 66.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.571 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -136.92 128.31 28.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.601 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -81.37 125.76 30.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.429 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.63 119.47 26.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.607 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -145.82 114.67 6.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.597 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.666 HD22 ' N ' ' A' ' 42' ' ' ASN . 0.7 OUTLIER 54.82 39.38 31.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.604 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.52 -20.26 2.24 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.454 ' H ' ' C ' ' A' ' 42' ' ' ASN . 19.1 m -77.12 111.18 12.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.552 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 4.8 p -90.35 110.44 21.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.563 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.679 ' O ' HG23 ' A' ' 46' ' ' VAL . 25.7 m -99.99 108.82 23.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.572 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.65 127.38 32.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.569 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 50.9 mtm -91.21 147.58 22.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.509 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -87.01 -50.25 6.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.643 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -81.6 56.66 3.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.417 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.607 ' CE1' HG21 ' A' ' 37' ' ' VAL . 20.9 t-80 -169.37 22.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.643 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.518 ' NH1' ' O ' ' A' ' 164' ' ' THR . 0.4 OUTLIER -133.66 170.53 15.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.463 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 176.81 -171.02 43.94 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -144.28 138.35 27.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.694 0.283 . . . . 0.0 110.674 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -119.45 134.47 55.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.346 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -103.32 157.98 16.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.577 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -50.18 153.46 1.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.557 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -93.3 143.91 25.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.645 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -175.88 57.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.551 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -75.51 -26.15 57.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.644 -179.91 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 40.81 28.54 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.776 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 60' ' ' LYS . 1.7 tp -86.97 -58.69 2.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.986 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.94 -51.4 5.5 Favored 'General case' 0 N--CA 1.462 0.169 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.443 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.477 ' C ' ' H ' ' A' ' 66' ' ' PHE . 4.0 m -83.12 0.34 45.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.267 -179.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 60.03 1.23 1.39 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.477 ' H ' ' C ' ' A' ' 64' ' ' CYS . 21.5 t80 -170.84 60.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 110.613 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -48.65 111.89 0.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.517 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -107.52 80.63 0.28 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.438 ' NH2' ' OD2' ' A' ' 77' ' ' ASP . 0.5 OUTLIER -137.44 113.34 9.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.866 0.365 . . . . 0.0 110.592 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.64 ' H ' ' CD2' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -64.72 156.1 31.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.548 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.69 -39.9 95.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.596 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.42 ' OE1' ' SG ' ' A' ' 106' ' ' CYS . 30.5 mt-10 -45.17 -61.5 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.525 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.521 HD11 ' OE1' ' A' ' 109' ' ' GLU . 6.6 mp -52.12 -52.56 50.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.623 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.17 -58.03 3.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.441 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.508 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 40.7 t80 -57.6 -49.39 76.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.469 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.486 HD11 HG22 ' A' ' 110' ' ' VAL . 1.4 mt -57.08 -19.96 22.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.565 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.438 ' OD2' ' NH2' ' A' ' 69' ' ' ARG . 1.6 t0 -71.86 -44.39 63.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.241 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 pp -95.92 5.34 51.46 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.074 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.436 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 1.4 t -56.59 -48.09 97.79 Favored Pre-proline 0 CA--C 1.536 0.41 0 C-N-CA 120.853 -0.339 . . . . 0.0 111.084 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 44.1 Cg_endo -74.13 -17.05 22.24 Favored 'Trans proline' 0 N--CA 1.488 1.198 0 C-N-CA 121.528 1.485 . . . . 0.0 111.856 -179.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.9 t -69.14 -9.93 55.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.357 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 15.5 mt -79.63 12.1 2.75 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.54 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 41.63 43.34 2.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.563 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.6 mt -43.15 155.12 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.664 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.479 ' C ' ' H ' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -116.89 85.08 16.89 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.462 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -49.79 -7.16 0.08 OUTLIER 'Trans proline' 0 N--CA 1.492 1.433 0 C-N-CA 122.375 2.05 . . . . 0.0 112.264 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.479 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -47.44 -56.38 7.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.47 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.496 ' N ' ' NE2' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -112.99 -179.3 3.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.387 179.823 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.798 ' H ' HD12 ' A' ' 89' ' ' ILE . 0.2 OUTLIER -85.39 162.44 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.534 -179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -143.76 176.38 9.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.562 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -146.58 108.5 4.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.736 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.538 HG23 HG21 ' A' ' 120' ' ' VAL . 42.1 t -94.92 112.13 26.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.285 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.1 m -97.05 120.34 37.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.63 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -101.39 132.19 47.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.933 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.495 ' CD2' ' SG ' ' A' ' 161' ' ' CYS . 12.5 m-85 -124.04 102.86 7.97 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.43 145.75 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.076 -178.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.668 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 0.9 OUTLIER -97.0 -23.22 16.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.764 178.801 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.78 ' CD2' HG22 ' A' ' 31' ' ' THR . 21.6 m95 -114.77 135.78 53.8 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.528 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.403 ' OG ' HG23 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -57.66 162.73 4.54 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.599 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -70.7 171.12 16.12 Favored 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.602 2.201 . . . . 0.0 112.109 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 31.1 p -111.14 -137.2 0.37 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.367 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.539 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -49.49 102.49 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 179.495 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.525 ' O ' ' N ' ' A' ' 108' ' ' GLY . 79.3 p -41.08 -25.11 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.63 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.454 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -85.46 -28.29 25.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.919 0.39 . . . . 0.0 111.347 -179.503 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -81.33 -62.0 2.02 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . 0.73 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.7 OUTLIER -77.56 -69.24 0.55 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.621 0.248 . . . . 0.0 111.369 -179.568 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.722 ' HB1' HD13 ' A' ' 143' ' ' LEU . . . -58.43 -40.2 81.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.98 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -58.78 -57.05 21.93 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.521 ' OE1' HD11 ' A' ' 73' ' ' LEU . 41.1 mt-10 -53.96 -32.8 55.04 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.013 0.435 . . . . 0.0 110.099 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 106' ' ' CYS . 58.2 t -73.78 -40.24 53.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.348 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 55.9 ttt180 -56.1 -58.98 5.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.324 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.56 -59.75 4.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.426 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -46.67 -28.66 1.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.618 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.7 tp -84.24 -43.3 15.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.728 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -49.62 -28.69 6.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.489 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -109.68 5.33 22.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.998 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.631 ' O ' HG12 ' A' ' 120' ' ' VAL . 7.6 t30 -144.02 34.24 1.23 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.83 0.348 . . . . 0.0 110.877 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.4 t -62.27 3.01 0.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.502 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.2 OUTLIER -76.16 9.98 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.376 . . . . 0.0 110.363 179.913 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 117' ' ' ASN . 7.9 p -136.98 149.66 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.387 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -91.45 123.05 34.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.467 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.506 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -104.66 112.41 25.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.614 -179.688 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.506 ' N ' HD13 ' A' ' 122' ' ' LEU . 1.8 mpt_? -116.32 120.05 37.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.857 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 19.6 mt -105.1 130.81 55.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.101 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -125.66 115.54 20.28 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.642 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -95.02 111.79 23.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.226 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.668 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -83.1 -44.71 14.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -133.2 138.41 46.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.933 0.397 . . . . 0.0 110.603 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.403 HG23 ' OG ' ' A' ' 99' ' ' SER . 0.2 OUTLIER -98.79 126.04 52.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.737 -179.73 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -174.42 120.09 0.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.308 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -175.35 172.74 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.503 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -103.31 9.9 37.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.378 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.475 ' C ' ' H ' ' A' ' 135' ' ' LEU . 1.7 m-20 -128.4 76.71 78.03 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.516 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.482 ' C ' ' H ' ' A' ' 136' ' ' TYR . 50.7 Cg_exo -49.75 -6.84 0.08 OUTLIER 'Trans proline' 0 C--N 1.308 -1.566 0 C-N-CA 122.72 2.28 . . . . 0.0 112.295 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.475 ' H ' ' C ' ' A' ' 133' ' ' ASP . 4.9 mt -55.73 -6.05 0.19 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.501 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.482 ' H ' ' C ' ' A' ' 134' ' ' PRO . 0.6 OUTLIER -42.4 -37.14 1.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.651 -179.89 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.479 ' N ' ' CG ' ' A' ' 136' ' ' TYR . 1.2 pttm -59.87 -60.36 3.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.464 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -51.88 -26.68 10.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.41 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.46 ' HB2' ' HB3' ' A' ' 103' ' ' SER . . . -75.39 -28.87 59.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.512 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.581 ' O ' HD23 ' A' ' 140' ' ' LEU . 0.9 OUTLIER -70.6 -41.44 72.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.514 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -82.28 -36.14 27.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.554 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 3.4 ttp -68.47 -49.66 58.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.689 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.722 HD13 ' HB1' ' A' ' 107' ' ' ALA . 23.1 tp -66.1 -50.93 62.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.677 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.482 ' C ' ' H ' ' A' ' 146' ' ' ALA . 4.8 tmm_? -49.08 -41.04 34.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.512 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -61.7 -0.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.594 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' A' ' 144' ' ' ARG . . . -102.16 -23.85 14.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.658 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 131.33 -47.61 1.01 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -44.31 147.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.839 0.352 . . . . 0.0 110.645 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -102.0 143.4 31.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.501 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -131.49 122.06 49.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.494 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 5.3 t -150.91 162.09 41.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.666 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.3 tp -78.38 140.28 17.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.583 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.583 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 10.9 ttt -56.37 130.7 45.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.637 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -100.08 153.77 18.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.629 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -52.29 -39.59 60.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.58 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.47 -44.38 93.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.543 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -65.95 -38.86 89.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.484 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.583 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 1.3 m-85 -51.43 -49.61 61.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.535 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -60.85 -52.98 62.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.606 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.624 ' ND1' ' N ' ' A' ' 161' ' ' CYS . 0.1 OUTLIER -48.1 -51.53 24.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.336 179.836 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.624 ' N ' ' ND1' ' A' ' 160' ' ' HIS . 0.5 OUTLIER -64.11 -49.22 73.08 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.945 -179.495 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' TRP . . . . . 0.459 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 21.9 t-105 -43.35 -68.97 0.15 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.327 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . 0.459 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.1 OUTLIER -60.16 -26.51 66.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.762 -179.008 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.518 ' O ' ' NH1' ' A' ' 52' ' ' ARG . 30.7 m -86.87 -18.45 30.87 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.818 -179.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.547 ' N ' ' O ' ' A' ' 161' ' ' CYS . 25.9 m-85 -121.52 19.19 11.26 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 121.09 -0.244 . . . . 0.0 111.623 -179.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.527 ' C ' ' H ' ' A' ' 168' ' ' HIS . 60.9 t -144.69 153.97 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.517 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . 0.629 ' HA ' HD23 ' A' ' 12' ' ' LEU . 0.4 OUTLIER -75.98 27.75 0.11 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.958 179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.714 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -41.01 -54.56 2.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.909 179.539 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . 0.621 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 31.6 mt-30 41.16 17.06 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.386 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . 0.714 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 141.35 3.69 1.16 Allowed Glycine 0 CA--C 1.53 0.975 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.909 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.615 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 23.7 m -117.24 85.27 18.89 Favored Pre-proline 0 CA--C 1.53 0.177 0 CA-C-N 116.865 0.333 . . . . 0.0 110.121 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -82.5 149.53 14.71 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 122.391 2.061 . . . . 0.0 112.369 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.513 ' CD2' ' O ' ' A' ' 173' ' ' PHE . 0.0 OUTLIER -105.76 123.03 47.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.313 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.544 ' CD ' ' H ' ' A' ' 174' ' ' GLN . 0.0 OUTLIER -91.83 153.97 43.69 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.443 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -70.32 134.26 26.38 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.263 1.976 . . . . 0.0 111.96 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 9.7 p90 -80.55 -172.19 3.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.605 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.82 95.4 10.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.53 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 160.48 -33.6 0.41 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.76 -46.12 50.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.801 0.334 . . . . 0.0 110.377 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.3 -48.51 71.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.502 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -65.72 -57.82 7.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.476 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -49.95 -37.57 32.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.476 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.11 -55.43 35.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.491 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -58.02 -30.26 65.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.578 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -68.37 -65.04 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.555 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 42.9 mt -62.51 -60.34 3.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.492 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 15.6 p -45.98 -37.43 6.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.482 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -66.73 -39.83 93.72 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . 0.46 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 31.8 mtt85 -69.19 -55.87 9.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.782 0.325 . . . . 0.0 110.491 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -43.34 -50.34 6.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.3 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 22.7 ttm180 -59.3 -40.6 86.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.352 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -51.79 -52.69 47.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.51 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . 0.522 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -59.66 -33.9 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.349 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.56 -35.75 65.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.455 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.71 91.9 4.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.522 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 196' ' ' ASN . . . . . 0.502 ' OD1' ' N ' ' A' ' 196' ' ' ASN . 0.6 OUTLIER -67.5 -162.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.571 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -57.11 117.81 4.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.558 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -175.22 36.64 0.1 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 199' ' ' ASN . . . . . 0.459 ' C ' HD22 ' A' ' 199' ' ' ASN . 0.4 OUTLIER . . . . . 0 C--O 1.221 -0.447 0 CA-C-O 118.034 -0.984 . . . . 0.0 110.579 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.7 mtt . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -143.33 -42.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.615 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.73 141.03 48.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.556 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.52 162.65 54.79 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.438 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -70.27 -63.7 0.04 OUTLIER 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.585 2.19 . . . . 0.0 112.035 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.15 -76.5 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.581 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.89 21.29 2.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.46 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.418 ' H ' ' HD2' ' A' ' 9' ' ' PRO . . . -91.77 -67.25 1.14 Allowed Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.418 ' HD2' ' H ' ' A' ' 8' ' ' GLY . 40.5 Cg_endo -70.81 -11.72 29.87 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.799 2.333 . . . . 0.0 112.073 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 55.89 -157.34 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.652 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.488 ' CG ' ' O ' ' A' ' 11' ' ' HIS . 4.2 p80 -151.55 54.7 0.85 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.607 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.701 HD12 ' N ' ' A' ' 12' ' ' LEU . 6.8 mp -94.9 174.37 7.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.968 0.413 . . . . 0.0 110.492 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.489 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -61.86 150.26 37.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.967 179.678 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -67.11 141.39 96.36 Favored Pre-proline 0 CA--C 1.536 0.418 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.408 -179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.442 ' O ' ' OG1' ' A' ' 19' ' ' THR . 86.1 Cg_exo -40.01 -48.71 3.78 Favored 'Trans proline' 0 N--CA 1.488 1.166 0 C-N-CA 122.119 1.879 . . . . 0.0 112.248 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.431 ' CD2' ' C ' ' A' ' 16' ' ' HIS . 11.7 t60 -65.83 -45.89 80.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.622 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.7 mm -48.7 -38.7 10.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.977 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.437 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 28.2 t80 -76.33 -57.2 4.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.786 0.327 . . . . 0.0 110.913 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -54.91 -24.56 24.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.831 -179.639 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.6 t -86.9 -35.91 18.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.676 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.614 ' ND2' ' CE1' ' A' ' 32' ' ' TYR . 14.4 t-20 -81.19 -1.36 44.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.735 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -133.31 3.17 3.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.339 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.403 ' ND2' ' C ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -65.52 122.52 17.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.441 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -39.39 121.12 1.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.727 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.52 77.66 1.27 Allowed Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -70.11 -176.49 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.744 0.307 . . . . 0.0 110.584 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -121.92 -77.71 0.44 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.668 HH12 ' CE1' ' A' ' 29' ' ' HIS . 0.9 OUTLIER -171.56 147.01 2.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.792 0.329 . . . . 0.0 110.465 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.668 ' CE1' HH12 ' A' ' 28' ' ' ARG . 18.1 m-70 44.31 64.39 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.622 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -135.43 13.64 3.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.816 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.9 p -47.27 109.5 0.22 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.905 -0.318 . . . . 0.0 110.426 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.614 ' CE1' ' ND2' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -106.14 140.79 38.57 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.652 -179.857 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.714 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.6 tm? -132.94 123.34 25.76 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.016 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.98 102.97 8.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.649 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.493 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 15.4 p90 -93.55 142.36 27.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.151 -179.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -126.49 160.59 30.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.111 179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.681 HG21 ' CE1' ' A' ' 51' ' ' HIS . 44.8 t -131.44 123.78 53.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 110.639 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -135.68 120.54 18.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.619 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 30.8 ttp85 -95.53 137.53 34.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.39 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.9 mt -92.61 157.32 16.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.557 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -151.62 96.3 2.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.449 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.429 ' C ' ' H ' ' A' ' 44' ' ' THR . 40.7 t-20 59.43 53.87 4.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.472 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.62 -27.1 1.9 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.429 ' H ' ' C ' ' A' ' 42' ' ' ASN . 1.5 m -71.85 144.05 49.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.763 0.316 . . . . 0.0 110.508 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.7 p -104.26 137.0 42.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.569 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 37.1 t -131.1 105.42 10.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.499 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -82.54 136.78 34.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.663 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.2 mmt -89.31 145.81 25.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.523 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -96.82 -50.15 4.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.687 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.415 ' OE1' ' N ' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -100.78 63.07 1.03 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.549 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.681 ' CE1' HG21 ' A' ' 37' ' ' VAL . 45.0 t-80 -161.0 13.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.663 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.4 ptt-85 -109.58 170.63 7.94 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.596 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -173.09 173.69 45.71 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -152.15 146.72 25.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.85 0.357 . . . . 0.0 110.746 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mp -137.4 178.47 7.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.559 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.22 175.66 9.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.474 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.541 ' H ' ' ND2' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -41.73 150.55 0.11 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.541 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -96.32 -60.89 1.52 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.565 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 54.58 101.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.555 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -93.09 -55.12 3.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.597 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -38.26 103.17 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.501 ' H ' HD23 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -79.1 2.2 21.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.541 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.604 ' N ' HD12 ' A' ' 63' ' ' LEU . 8.6 mp -88.73 -52.12 5.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.961 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 5.1 t -114.27 -32.3 6.01 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.126 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 89.5 49.79 3.34 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.689 -0.965 . . . . 0.0 110.689 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -130.87 -80.13 0.53 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.718 0.294 . . . . 0.0 110.712 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -41.15 123.47 2.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.627 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.89 -140.69 5.62 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.538 ' CG ' HH11 ' A' ' 69' ' ' ARG . 1.1 mtt85 -138.54 138.51 38.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.897 0.379 . . . . 0.0 110.596 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.715 ' H ' ' CD2' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -59.1 164.56 2.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.658 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.59 -36.86 85.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.503 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -63.89 -50.9 66.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.508 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.555 HD13 ' ND1' ' A' ' 70' ' ' HIS . 6.6 mp -44.92 -47.54 11.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.383 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -58.26 -47.17 84.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.498 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.493 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 25.5 t80 -59.03 -47.77 84.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.407 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 tp -65.22 -19.59 66.04 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.191 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -79.07 -33.36 44.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.266 -179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 pp -103.81 8.11 37.08 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.779 0.323 . . . . 0.0 110.734 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.581 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -63.17 -41.66 70.89 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.61 179.792 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 28.3 Cg_exo -59.16 -22.07 62.64 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.263 1.975 . . . . 0.0 111.873 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.5 m -56.89 -8.84 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.526 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.664 HD22 ' NE2' ' A' ' 51' ' ' HIS . 49.2 mt -90.8 -35.25 14.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.59 -179.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 71.26 39.58 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.643 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.9 mt -54.97 111.6 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.532 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.2 160.57 54.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.623 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.28 3.88 2.76 Favored 'Trans proline' 0 C--N 1.31 -1.474 0 C-N-CA 122.576 2.184 . . . . 0.0 112.112 179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.0 -84.99 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.828 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.689 ' H ' ' NE2' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -109.11 -175.09 2.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.584 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.46 HG22 ' N ' ' A' ' 90' ' ' TYR . 3.2 mm -85.07 156.14 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.536 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.46 ' N ' HG22 ' A' ' 89' ' ' ILE . 2.4 m-85 -131.33 167.36 19.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.489 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.418 ' NH1' ' NH1' ' A' ' 123' ' ' ARG . 19.7 ttp180 -153.85 104.44 2.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.777 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.8 t -91.09 131.27 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.451 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.6 m -107.73 120.47 42.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.301 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -100.38 131.47 46.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.967 0.413 . . . . 0.0 110.741 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.445 ' CD2' ' SG ' ' A' ' 161' ' ' CYS . 22.4 m-85 -120.29 102.87 8.78 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.221 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 96' ' ' ILE . 0.1 OUTLIER -111.1 142.44 23.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.003 0.43 . . . . 0.0 111.664 -178.315 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.647 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 2.5 p -96.72 -27.9 14.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.057 179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 14.8 m95 -112.16 136.44 51.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.578 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.49 162.41 0.26 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.626 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -69.74 172.95 11.7 Favored 'Trans proline' 0 C--N 1.309 -1.521 0 C-N-CA 122.544 2.163 . . . . 0.0 112.073 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -117.43 -151.26 0.48 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.288 -179.84 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.536 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -37.75 98.55 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.326 0.584 . . . . 0.0 110.066 179.685 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.882 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 74.4 m -39.06 -24.02 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.822 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.522 ' N ' ' O ' ' A' ' 102' ' ' PHE . 1.6 t90 -84.41 -31.75 24.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.55 -179.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -72.22 -62.31 3.35 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -69.21 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.648 0.261 . . . . 0.0 111.198 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.882 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -50.55 -50.16 54.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.913 -179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -55.35 -58.84 11.96 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 105' ' ' GLY . 14.3 mm-40 -46.59 -45.35 18.86 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.279 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.0 t -65.18 -45.11 94.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.391 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -47.04 -58.54 3.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.209 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.54 -45.6 63.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.242 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -51.56 -49.19 62.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.491 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.54 ' O ' HG23 ' A' ' 118' ' ' THR . 7.0 mp -69.21 -58.42 4.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.505 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -46.8 -15.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.416 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 114' ' ' LEU . 4.3 tt0 -109.97 -18.91 13.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.657 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.627 ' ND2' ' CD2' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -152.54 57.74 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.387 . . . . 0.0 110.694 -179.842 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 114' ' ' LEU . 66.5 p -62.14 5.48 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.092 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.627 ' CD2' ' ND2' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -75.85 1.36 15.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 0.0 110.337 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.578 HG12 ' O ' ' A' ' 117' ' ' ASN . 6.6 p -128.47 130.52 69.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.482 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 28.1 mtt-85 -91.47 144.55 25.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.294 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.76 128.55 49.73 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.002 -179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.418 ' NH1' ' NH1' ' A' ' 91' ' ' ARG . 2.4 mtp180 -112.27 124.08 51.67 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.825 179.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 23.6 mm -104.92 127.12 59.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.748 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.509 ' CE1' ' OE2' ' A' ' 157' ' ' GLU . 63.4 m-85 -126.09 111.18 14.37 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.04 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -94.54 114.77 26.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.988 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.647 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -85.75 -44.66 12.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.071 -179.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.651 ' HE ' HD21 ' A' ' 186' ' ' LEU . 0.0 OUTLIER -133.82 140.31 46.81 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.878 0.37 . . . . 0.0 110.784 -179.833 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.422 ' H ' ' CZ ' ' A' ' 128' ' ' ARG . 0.2 OUTLIER -99.85 129.24 50.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.581 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.417 ' O ' ' OD1' ' A' ' 131' ' ' ASP . 0.2 OUTLIER -178.82 122.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.367 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 130' ' ' TYR . 0.1 OUTLIER 179.68 151.71 0.4 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.681 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -86.59 10.09 16.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.453 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.488 ' C ' ' H ' ' A' ' 135' ' ' LEU . 11.9 m-20 -122.33 80.61 45.39 Favored Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.571 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.478 ' C ' ' H ' ' A' ' 136' ' ' TYR . 50.2 Cg_exo -50.04 -5.83 0.07 OUTLIER 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 122.565 2.177 . . . . 0.0 112.309 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.488 ' H ' ' C ' ' A' ' 133' ' ' ASP . 5.5 mt -52.66 -8.98 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.456 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.478 ' H ' ' C ' ' A' ' 134' ' ' PRO . 0.9 OUTLIER -42.87 -26.55 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.662 179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 34.4 tttt -68.08 -59.21 3.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.585 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.99 -30.38 14.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.554 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.61 ' HB2' ' OG ' ' A' ' 103' ' ' SER . . . -69.13 -42.58 75.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.591 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.32 -43.71 83.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.54 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -77.24 -59.23 2.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.552 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -45.08 -39.89 6.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.437 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 44.2 tp -68.96 -45.96 69.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.319 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -54.45 -28.49 44.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.519 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -82.22 -13.6 56.84 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.516 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -87.73 -23.1 24.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.585 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 91.71 68.47 1.15 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -143.49 172.79 12.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.879 0.371 . . . . 0.0 110.573 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -100.53 130.67 46.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.584 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -132.05 107.68 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.501 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.09 162.0 41.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.719 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.643 HD11 HD22 ' A' ' 190' ' ' LEU . 10.3 mm -85.02 136.45 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.568 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.586 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 4.9 ttt -45.04 121.26 2.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.51 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 82.4 p -99.04 157.38 16.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.636 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -47.97 -39.41 19.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.731 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.39 -60.94 2.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.588 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.509 ' OE2' ' CE1' ' A' ' 125' ' ' PHE . 73.8 mt-10 -53.79 -32.32 52.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.489 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.586 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 0.4 OUTLIER -59.41 -46.9 87.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.421 179.864 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -59.88 -56.22 24.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.661 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.517 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -56.23 -54.21 48.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.54 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.517 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 11.5 t -57.12 -38.53 73.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.705 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' TRP . . . . . 0.578 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 4.0 t-105 -61.88 -64.7 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . 0.578 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -62.46 -17.5 59.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.337 -179.45 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 87.7 m -86.56 -36.49 18.88 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.23 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.489 ' O ' ' SD ' ' A' ' 13' ' ' MET . 28.6 m-85 -100.72 18.7 18.69 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.931 -0.308 . . . . 0.0 111.354 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.493 ' C ' ' H ' ' A' ' 168' ' ' HIS . 60.2 t -146.15 134.87 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.307 -0.557 . . . . 0.0 111.643 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 169' ' ' GLN . 30.2 t70 -75.16 39.31 0.14 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.605 178.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.596 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -46.87 -12.81 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.586 -179.776 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' A' ' 167' ' ' ASP . 9.2 mm-40 53.83 6.19 0.08 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.987 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . 0.596 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 122.47 36.1 0.71 Allowed Glycine 0 CA--C 1.526 0.771 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.585 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 1.2 m -124.78 80.76 62.14 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-O 120.701 0.286 . . . . 0.0 110.292 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -51.91 155.05 8.92 Favored 'Trans proline' 0 N--CA 1.493 1.472 0 C-N-CA 122.595 2.197 . . . . 0.0 112.219 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.521 ' CE1' ' O ' ' A' ' 174' ' ' GLN . 0.0 OUTLIER -98.59 114.5 26.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.412 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.521 ' O ' ' CE1' ' A' ' 173' ' ' PHE . 0.0 OUTLIER -79.53 156.68 75.56 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.553 -179.732 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.66 156.21 57.77 Favored 'Trans proline' 0 N--CA 1.492 1.417 0 C-N-CA 122.393 2.062 . . . . 0.0 112.154 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 3.0 p90 -103.53 -168.29 1.49 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.383 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -89.22 86.63 6.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.436 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 144.67 -25.39 1.97 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 5.2 tt -41.07 -38.77 1.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.727 0.299 . . . . 0.0 110.604 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.21 -47.89 59.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.611 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -60.16 -50.13 74.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.642 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -63.32 -46.86 84.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.56 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 71.0 m -58.55 -50.34 74.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.596 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.26 -32.04 72.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.705 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -73.88 -65.16 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.63 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . 0.651 HD21 ' HE ' ' A' ' 128' ' ' ARG . 9.3 mp -50.52 -54.68 20.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.505 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 13.3 m -54.41 -42.4 70.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.603 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -66.02 -32.77 83.52 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -58.89 -61.68 2.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.724 0.297 . . . . 0.0 110.596 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.643 HD22 HD11 ' A' ' 152' ' ' ILE . 2.1 tp -51.24 -44.76 61.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.424 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . 0.517 HH21 HD21 ' A' ' 196' ' ' ASN . 25.3 ttt180 -52.42 -35.62 52.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.41 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -66.08 -55.14 18.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.576 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . 0.502 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -48.56 -53.47 6.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.531 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 195' ' ' GLN . 6.0 mt -59.19 -6.23 0.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.528 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' ' 194' ' ' LEU . 1.5 mm-40 48.81 99.76 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.594 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 196' ' ' ASN . . . . . 0.517 HD21 HH21 ' A' ' 191' ' ' ARG . 0.1 OUTLIER -126.05 174.25 8.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.561 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 47.96 83.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.6 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 151.97 -95.21 0.15 Allowed Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.543 -179.948 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.5 mmm . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -165.67 -40.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.527 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -162.59 -66.66 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.555 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.91 163.22 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.557 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_exo -38.26 120.38 0.43 Allowed 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.632 2.221 . . . . 0.0 112.223 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -165.12 140.55 5.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.597 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 t 171.91 97.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.568 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -154.21 61.41 0.38 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -74.53 139.0 25.05 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.782 2.321 . . . . 0.0 112.146 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' ' 11' ' ' HIS . 8.6 ttm180 -140.38 99.28 3.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.434 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 10' ' ' ARG . 4.0 t60 41.56 94.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.556 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.838 HD22 ' N ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -100.74 174.04 6.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.248 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.6 ptp -76.26 166.86 22.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.241 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.13 142.12 92.54 Favored Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.676 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -41.66 -49.09 5.47 Favored 'Trans proline' 0 N--CA 1.491 1.336 0 C-N-CA 122.082 1.855 . . . . 0.0 112.346 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -64.76 -48.06 75.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.057 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.4 mm -48.73 -30.35 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.652 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -80.97 -60.86 2.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.615 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -48.6 -24.99 1.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.567 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.8 p -79.26 -54.65 5.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.504 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.59 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 6.2 m120 -60.84 -7.63 2.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.548 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -133.19 35.16 3.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.308 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' A' ' 23' ' ' ASN . 1.7 t-20 -95.58 104.93 16.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.578 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.668 ' N ' HH21 ' A' ' 128' ' ' ARG . 0.0 OUTLIER -41.21 155.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.556 179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.22 18.29 67.27 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.819 -0.913 . . . . 0.0 110.819 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.402 HD13 ' HE1' ' A' ' 98' ' ' TRP . 19.5 tt -60.79 158.39 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.619 0.247 . . . . 0.0 110.46 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -150.88 -10.36 0.1 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.467 ' O ' ' N ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -108.1 143.69 36.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.779 0.323 . . . . 0.0 110.438 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.596 ' N ' ' ND1' ' A' ' 29' ' ' HIS . 0.1 OUTLIER -61.91 76.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.819 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.575 ' NZ ' HD21 ' A' ' 21' ' ' ASN . 0.0 OUTLIER -117.03 25.11 10.73 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.961 179.727 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.477 HG22 ' CD2' ' A' ' 98' ' ' TRP . 0.1 OUTLIER -46.92 142.04 3.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.395 -179.465 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.59 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -119.74 143.69 47.66 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.093 179.71 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.654 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.2 tm? -133.37 114.0 13.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.107 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.89 136.83 47.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.673 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.404 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 40.4 p90 -128.91 136.65 50.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.024 0.44 . . . . 0.0 111.395 -178.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -139.96 129.06 23.66 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.15 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.8 t -105.36 137.85 33.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.875 0.369 . . . . 0.0 110.73 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.484 ' OE2' ' NE ' ' A' ' 91' ' ' ARG . 7.6 pt-20 -139.67 134.52 32.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.405 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.3 ttp85 -79.47 138.18 37.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.547 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.6 mt -103.49 101.49 11.37 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.667 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -100.5 99.33 9.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.455 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.416 HD22 ' C ' ' A' ' 42' ' ' ASN . 0.4 OUTLIER 54.83 32.28 17.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.615 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 101.51 -25.96 26.23 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.8 m -72.78 110.89 7.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.54 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 63.2 p -84.25 128.4 34.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.512 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.7 t -122.92 99.36 6.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.454 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -63.82 132.46 50.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.62 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 45.3 mtt -74.75 155.88 37.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.533 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.92 -50.2 7.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.597 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -103.29 73.09 1.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.517 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.52 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 38.0 t-80 -163.93 9.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.666 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.543 ' HE ' ' C ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -100.92 133.64 45.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.397 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -154.53 -179.34 29.71 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.1 p90 -166.04 139.21 4.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.922 0.392 . . . . 0.0 111.154 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mp -138.33 178.47 7.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.382 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.08 167.87 13.64 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.347 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -56.45 172.31 0.24 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.849 0.357 . . . . 0.0 110.656 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.766 HE22 ' HE ' ' A' ' 69' ' ' ARG . 26.2 mt-30 -95.39 87.55 4.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.496 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.29 -71.51 0.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.633 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -89.43 89.15 7.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.565 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.484 ' ND2' HE21 ' A' ' 58' ' ' GLN . 12.7 p-10 -143.04 72.24 1.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.459 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 mt -70.47 10.41 0.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.593 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.455 ' H ' ' C ' ' A' ' 61' ' ' ASN . 10.3 mt -58.54 -49.65 76.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.567 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 10.4 m -102.98 9.89 38.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.589 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.56 30.02 5.73 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.514 ' CG ' ' O ' ' A' ' 66' ' ' PHE . 14.6 t80 54.79 80.62 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.739 0.304 . . . . 0.0 110.612 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.528 ' O ' ' N ' ' A' ' 69' ' ' ARG . 14.7 m-85 -117.38 118.02 31.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.408 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.76 84.95 0.01 OUTLIER Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.766 ' HE ' HE22 ' A' ' 58' ' ' GLN . 27.8 mtp85 -102.93 130.11 49.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.794 0.33 . . . . 0.0 110.585 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.426 ' CD2' ' OE2' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -56.34 159.4 3.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.717 -179.825 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.46 -27.44 56.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.536 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.494 ' OE1' ' SG ' ' A' ' 106' ' ' CYS . 21.5 mt-10 -54.34 -38.32 65.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.569 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.6 mp -60.72 -47.1 87.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.633 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -60.49 -37.57 81.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.595 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.432 ' CD1' ' C ' ' A' ' 75' ' ' PHE . 2.8 t80 -62.07 -49.22 76.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.569 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.1 tp -65.94 -20.15 66.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.627 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -76.73 -29.48 56.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.659 ' C ' HD12 ' A' ' 78' ' ' LEU . 4.0 pp -104.44 7.13 35.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.834 0.35 . . . . 0.0 110.833 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.588 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -64.25 -41.11 58.38 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.985 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.588 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 22.7 Cg_exo -61.0 -17.24 50.55 Favored 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 122.27 1.98 . . . . 0.0 112.065 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.7 m -71.04 -9.02 57.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 9.2 mt -98.3 -10.77 23.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.705 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 42.76 52.37 5.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.546 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 mt -40.43 156.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.71 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.492 ' C ' ' H ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -116.22 85.41 15.55 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.413 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -50.12 -5.66 0.07 OUTLIER 'Trans proline' 0 N--CA 1.494 1.504 0 C-N-CA 122.357 2.038 . . . . 0.0 112.45 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -40.95 -31.99 0.21 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.91 0.386 . . . . 0.0 110.518 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -138.29 -173.88 3.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.279 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.474 ' C ' ' CD1' ' A' ' 90' ' ' TYR . 0.5 OUTLIER -90.75 156.61 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.028 0.442 . . . . 0.0 110.641 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 89' ' ' ILE . 65.1 m-85 -144.15 179.05 7.46 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.845 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.535 ' CZ ' ' HE ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -148.63 116.04 6.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.443 -179.875 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.3 t -93.85 122.52 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.322 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.5 m -104.11 118.73 37.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.605 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -102.97 131.13 50.15 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.648 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.416 ' CD2' ' SG ' ' A' ' 161' ' ' CYS . 36.3 m-85 -123.22 103.21 8.39 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -111.93 145.6 17.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.475 -178.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.633 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 2.1 p -91.88 -24.51 19.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.001 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.477 ' CD2' HG22 ' A' ' 31' ' ' THR . 13.9 m95 -110.54 171.12 7.65 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.102 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.0 OUTLIER -98.08 161.08 26.7 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.799 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' A' ' 99' ' ' SER . 53.1 Cg_exo -42.55 173.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 122.648 2.232 . . . . 0.0 112.515 179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.9 p -125.08 -47.81 1.76 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.143 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.499 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.3 OUTLIER -143.31 117.31 9.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.578 179.597 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.866 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 3.8 m -42.85 -36.64 1.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.05 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -84.65 -17.69 37.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.555 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.96 -63.82 1.51 Allowed Glycine 0 CA--C 1.527 0.804 0 C-N-CA 120.514 -0.85 . . . . 0.0 111.697 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . 0.494 ' SG ' ' OE1' ' A' ' 72' ' ' GLU . 1.3 m -79.01 -48.07 15.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.652 0.263 . . . . 0.0 111.572 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.866 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -74.09 -27.74 61.04 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.853 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -69.27 -61.0 4.77 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -36.78 68.79 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.117 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 4.3 t -68.88 -61.41 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.363 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.602 ' C ' HE21 ' A' ' 115' ' ' GLN . 67.3 ttt180 -42.3 -60.74 1.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.128 0.49 . . . . 0.0 110.098 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -42.81 -59.54 1.92 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.897 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.428 ' CE1' ' OD1' ' A' ' 117' ' ' ASN . 40.8 t80 -51.55 -23.43 4.13 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.603 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.455 HD11 ' HB2' ' A' ' 122' ' ' LEU . 0.9 OUTLIER -84.48 -55.71 4.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.078 -179.613 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.602 HE21 ' C ' ' A' ' 111' ' ' ARG . 11.7 mm-40 -46.52 -28.91 1.55 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.945 0.402 . . . . 0.0 110.081 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -90.92 -42.04 10.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.237 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 119' ' ' HIS . 17.8 m120 -103.77 37.5 2.03 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.747 0.308 . . . . 0.0 111.185 -179.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.429 ' C ' ' H ' ' A' ' 120' ' ' VAL . 59.9 p -45.66 -15.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.835 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.52 ' O ' ' ND1' ' A' ' 119' ' ' HIS . 5.6 p80 -76.19 16.84 0.4 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.955 0.407 . . . . 0.0 110.544 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.447 ' CG2' ' CE1' ' A' ' 119' ' ' HIS . 60.7 t -137.27 144.88 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.479 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.28 148.66 22.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.177 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.523 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.3 OUTLIER -130.91 113.39 13.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.048 0.451 . . . . 0.0 110.796 -179.264 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.535 ' HE ' ' CZ ' ' A' ' 91' ' ' ARG . 32.2 mtt-85 -115.23 125.01 52.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.125 179.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.1 mm -106.0 129.61 58.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -128.18 115.41 18.33 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.659 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -102.85 111.39 23.7 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.429 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.633 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -77.73 -43.08 32.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.816 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.668 HH21 ' N ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -131.63 160.7 34.62 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.515 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.526 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 0.9 OUTLIER -121.76 141.12 43.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.62 -179.751 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.526 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 0.8 OUTLIER 177.77 120.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.431 179.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.48 ' C ' ' H ' ' A' ' 133' ' ' ASP . 2.4 m-20 -177.81 123.58 0.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.432 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.71 9.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.328 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 135' ' ' LEU . 1.1 m-20 -118.51 82.37 19.37 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.29 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -46.83 -7.99 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 122.461 2.107 . . . . 0.0 112.633 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 133' ' ' ASP . 0.7 OUTLIER -51.64 -21.06 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.699 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.671 ' OH ' HD11 ' A' ' 193' ' ' ILE . 0.5 OUTLIER -42.52 -31.92 0.49 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.643 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -53.51 -62.05 1.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.439 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -54.84 -33.33 61.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.433 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.523 ' HB3' ' O ' ' A' ' 136' ' ' TYR . . . -56.38 -46.84 79.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.437 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -60.56 -50.74 72.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.281 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.442 ' NE2' HG22 ' A' ' 193' ' ' ILE . 63.6 mm-40 -58.76 -39.4 80.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.408 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -56.97 -39.77 75.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.249 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.721 HD12 ' HB3' ' A' ' 148' ' ' ALA . 0.8 OUTLIER -60.21 -55.54 32.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.211 179.734 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -44.93 -41.71 7.47 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.566 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.62 -34.36 72.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.666 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -79.33 -23.37 43.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.613 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 79.98 71.04 1.29 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.721 ' HB3' HD12 ' A' ' 143' ' ' LEU . . . -136.28 -172.54 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.679 0.276 . . . . 0.0 110.501 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -102.66 124.43 48.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.607 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.19 107.72 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.495 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 71.0 p -152.0 162.35 41.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.693 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 187' ' ' SER . 19.5 mt -85.92 139.25 17.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.893 0.378 . . . . 0.0 110.352 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 5.8 tpp -41.42 126.96 2.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.626 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.99 159.31 15.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.506 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -48.09 -41.39 26.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.688 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -62.5 -48.07 81.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.582 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -61.99 -42.5 99.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.596 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -49.81 -56.27 11.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.675 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.15 -58.75 6.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.017 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.614 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -48.74 -57.82 5.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.855 -179.774 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.614 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 1.5 m -54.76 -52.76 61.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 -179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' TRP . . . . . 0.595 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 6.4 t-105 -43.83 -68.76 0.17 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . 0.595 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -57.97 -41.24 82.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.437 -179.316 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.401 ' O ' HG22 ' A' ' 164' ' ' THR . 77.9 m -68.23 -18.1 64.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.493 -179.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.419 ' N ' ' O ' ' A' ' 161' ' ' CYS . 50.0 m-85 -121.56 19.31 11.22 Favored 'General case' 0 N--CA 1.462 0.16 0 N-CA-C 111.711 0.263 . . . . 0.0 111.711 -179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.557 ' C ' ' H ' ' A' ' 168' ' ' HIS . 80.6 t -144.76 155.07 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 121.182 0.515 . . . . 0.0 111.645 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . 0.497 ' N ' HG12 ' A' ' 166' ' ' VAL . 2.2 p-10 -74.87 30.14 0.09 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.642 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.738 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.2 OUTLIER -35.26 -53.6 0.63 Allowed 'General case' 0 CA--C 1.519 -0.237 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.252 -179.644 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . 0.626 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 81.0 mm-40 40.95 15.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.518 179.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . 0.738 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 144.39 -3.17 1.38 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.593 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 3.5 m -108.07 96.08 16.99 Favored Pre-proline 0 CA--C 1.535 0.393 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -73.61 160.64 43.72 Favored 'Trans proline' 0 N--CA 1.49 1.276 0 C-N-CA 121.522 1.481 . . . . 0.0 112.691 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -51.48 143.96 11.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.805 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -108.44 99.88 35.1 Favored Pre-proline 0 CA--C 1.535 0.384 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.634 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -78.71 133.86 11.77 Favored 'Trans proline' 0 N--CA 1.489 1.241 0 C-N-CA 121.859 1.706 . . . . 0.0 111.95 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' TRP . . . . . 0.695 ' HE1' ' CD2' ' A' ' 182' ' ' HIS . 0.9 OUTLIER -73.82 167.16 21.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.581 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . 0.502 ' N ' ' OD1' ' A' ' 177' ' ' ASP . 9.6 p30 -84.02 86.13 7.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.739 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 149.97 43.72 0.03 OUTLIER Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.491 -1.044 . . . . 0.0 110.491 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . 0.413 HD12 ' CD1' ' A' ' 176' ' ' TRP . 0.8 OUTLIER -73.92 -49.92 22.5 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.872 -179.678 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -59.48 -21.8 60.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.426 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -75.91 -62.0 1.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.164 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' HIS . . . . . 0.695 ' CD2' ' HE1' ' A' ' 176' ' ' TRP . 2.1 p80 -70.61 -28.13 64.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.996 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 49.9 m -69.51 -45.43 68.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.499 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -63.56 -38.48 91.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.542 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -56.58 -60.26 3.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.6 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 35.9 mt -67.76 -55.89 11.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.613 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . 0.403 ' HA ' HD12 ' A' ' 152' ' ' ILE . 23.0 t -50.54 -26.31 5.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.6 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -72.73 -53.69 8.07 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . 0.407 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 7.3 tpp180 -48.24 -56.09 8.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.807 0.337 . . . . 0.0 110.621 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.5 tp -53.55 -54.1 42.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.611 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -45.27 -36.95 4.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.605 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -64.85 -50.45 66.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.566 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . 0.671 HD11 ' OH ' ' A' ' 136' ' ' TYR . 10.5 mt -49.43 -49.0 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.455 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 47.8 mt -54.35 -35.92 63.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.61 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 36.6 tp60 -76.76 77.11 3.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.611 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 196' ' ' ASN . . . . . 0.533 ' H ' ' ND2' ' A' ' 196' ' ' ASN . 0.6 OUTLIER -68.93 -84.48 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.595 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . 0.406 ' H ' ' CG ' ' A' ' 196' ' ' ASN . 3.2 pt20 -161.83 137.17 7.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.541 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -102.51 -81.14 1.53 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.564 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 tpp . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -63.55 145.63 55.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.504 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.82 24.21 0.51 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.69 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.6 m 51.4 67.25 4.38 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.621 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -47.62 -55.43 3.97 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.816 2.344 . . . . 0.0 112.134 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.26 77.54 3.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.517 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.1 p -74.81 -39.45 61.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.584 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.25 -172.52 41.05 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -47.95 -45.28 25.34 Favored 'Trans proline' 0 C--N 1.303 -1.817 0 C-N-CA 122.844 2.363 . . . . 0.0 112.105 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.4 mtp180 53.7 174.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.608 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -174.14 112.94 0.18 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.592 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.844 HD22 ' N ' ' A' ' 12' ' ' LEU . 1.0 OUTLIER -107.68 173.58 6.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.134 179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 6.9 mtm -74.58 150.75 39.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 109.87 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 3.9 m-20 -63.63 141.99 97.95 Favored Pre-proline 0 CA--C 1.537 0.461 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.446 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.421 ' O ' ' OG1' ' A' ' 19' ' ' THR . 73.5 Cg_exo -40.73 -52.55 3.16 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 122.147 1.898 . . . . 0.0 112.393 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.9 t60 -64.02 -48.19 77.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.031 -179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mm -48.78 -39.9 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 0.0 110.447 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -76.07 -60.87 2.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.56 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.2 OUTLIER -48.74 -24.52 1.43 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.56 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 61.7 p -77.58 -49.1 15.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.53 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.427 ' ND2' ' CE1' ' A' ' 32' ' ' TYR . 2.3 m-20 -62.44 -30.44 71.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.558 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.435 ' C ' ' N ' ' A' ' 24' ' ' ASN . 99.1 m-85 -112.25 20.48 16.74 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.502 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -51.55 -12.68 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.497 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.435 ' N ' ' C ' ' A' ' 22' ' ' PHE . 9.7 t-20 63.89 98.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.475 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.25 77.04 1.14 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.446 ' C ' HD12 ' A' ' 26' ' ' ILE . 1.2 pp -140.82 -178.19 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 0.0 110.575 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -155.03 41.88 0.59 Allowed Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.469 ' O ' ' CZ2' ' A' ' 98' ' ' TRP . 1.0 OUTLIER -105.21 149.01 26.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.349 . . . . 0.0 110.558 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 -92.15 85.36 5.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.391 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.7 tttt -171.1 49.26 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.455 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.723 HG22 ' CD2' ' A' ' 98' ' ' TRP . 3.5 p -46.35 157.66 0.13 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.288 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.427 ' CE1' ' ND2' ' A' ' 21' ' ' ASN . 3.7 m-85 -121.31 143.69 49.04 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.192 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 34' ' ' CYS . 8.4 tp -137.11 111.88 8.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.533 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.42 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -106.2 127.27 53.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.948 179.285 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.461 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 14.0 p90 -121.22 138.21 54.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.943 0.402 . . . . 0.0 111.035 -179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.01 134.06 29.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.105 179.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -95.67 145.12 8.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.925 0.393 . . . . 0.0 110.835 -179.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -139.95 128.9 23.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.414 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.7 ttm180 -81.32 135.91 35.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.521 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.6 mt -100.86 146.19 27.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.494 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -155.6 100.5 2.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.593 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.76 31.65 21.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.537 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.05 -24.9 29.83 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.3 m -72.61 108.01 5.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.74 0.305 . . . . 0.0 110.61 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 60.5 p -98.81 108.79 21.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.577 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.536 ' O ' HG23 ' A' ' 46' ' ' VAL . 33.5 m -101.33 120.14 50.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.653 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -77.73 124.73 28.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.536 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 46.0 mtt -61.68 153.56 27.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.622 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.74 -50.23 6.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.492 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -104.94 74.94 1.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.318 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.493 ' N ' ' HE ' ' A' ' 52' ' ' ARG . 37.7 t-80 -164.59 22.42 0.06 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.682 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.697 ' H ' ' NE ' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -101.04 152.36 20.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.512 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -162.44 151.4 21.29 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -149.42 142.03 24.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.804 0.335 . . . . 0.0 110.635 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.889 HD12 ' H ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -144.72 167.17 23.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.498 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.425 ' O ' ' O ' ' A' ' 57' ' ' ASN . 0.6 OUTLIER -104.08 159.02 16.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.511 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.427 ' O ' ' O ' ' A' ' 58' ' ' GLN . 45.4 p-10 -59.04 -149.76 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.612 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 57' ' ' ASN . 2.8 pt20 -42.23 165.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.566 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.95 -60.55 2.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.644 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.444 ' O ' ' OD1' ' A' ' 61' ' ' ASN . 85.5 mttt -145.46 -77.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.594 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.444 ' OD1' ' O ' ' A' ' 60' ' ' LYS . 0.1 OUTLIER 65.66 5.55 3.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.26 0.552 . . . . 0.0 110.685 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 pp -86.76 -25.03 24.88 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.812 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.2 mt -88.86 -51.7 5.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.636 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.77 -32.31 6.17 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.489 -179.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.1 44.19 10.04 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -105.31 -42.69 5.19 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.823 0.344 . . . . 0.0 110.551 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.57 123.94 27.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.563 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -151.04 92.6 0.14 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.83 140.66 40.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.726 0.298 . . . . 0.0 110.52 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.655 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -86.5 133.47 33.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.125 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.49 -47.38 3.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.999 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.522 ' CD ' ' H ' ' A' ' 72' ' ' GLU . 19.0 mp0 -48.33 -43.7 33.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.944 -179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.475 HD13 ' ND1' ' A' ' 70' ' ' HIS . 10.8 mp -68.82 -55.08 12.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.606 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -44.38 -27.17 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.565 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.452 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 16.0 t80 -84.7 -44.15 13.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.578 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.0 tp -66.64 -19.99 65.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.635 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.72 -28.59 60.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.18 -179.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.652 ' C ' HD12 ' A' ' 78' ' ' LEU . 3.9 pp -106.28 8.06 31.68 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.928 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.579 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -64.82 -41.03 52.99 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.952 179.849 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.579 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 36.0 Cg_exo -58.16 -17.35 31.72 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 C-N-CA 122.233 1.956 . . . . 0.0 111.963 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.3 t -55.4 -32.64 62.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.686 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.721 HD22 ' N ' ' A' ' 82' ' ' LEU . 2.8 mm? -80.69 -41.98 22.78 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.434 ' CB ' ' O ' ' A' ' 82' ' ' LEU . 13.3 tt0 76.6 41.13 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.677 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.4 mt -46.88 154.62 0.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.513 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.02 160.52 66.92 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.409 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -71.4 -15.22 31.23 Favored 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.511 2.141 . . . . 0.0 112.21 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.87 -78.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.493 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -98.59 155.1 17.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.365 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.0 mm -84.91 150.6 3.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.083 0.468 . . . . 0.0 110.444 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -137.23 179.03 6.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.66 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -148.91 107.06 3.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.476 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 70.7 t -88.99 107.96 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.371 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.3 m -93.12 124.33 37.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.524 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 25.9 m0 -100.6 131.26 46.6 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.022 0.439 . . . . 0.0 110.508 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -118.63 102.84 9.17 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.645 -0.872 . . . . 0.0 108.645 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.415 HG21 HD13 ' A' ' 96' ' ' ILE . 0.0 OUTLIER -115.16 145.96 20.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.166 0.508 . . . . 0.0 111.711 -178.357 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.63 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 0.2 OUTLIER -95.72 -20.05 19.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.743 179.081 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.723 ' CD2' HG22 ' A' ' 31' ' ' THR . 22.8 m95 -117.05 163.98 15.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.219 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -79.64 158.14 73.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.479 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' A' ' 99' ' ' SER . 53.3 Cg_exo -42.38 171.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.369 0 C-N-CA 122.413 2.075 . . . . 0.0 112.235 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.59 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 0.1 OUTLIER -107.17 -45.05 4.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.327 179.686 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.59 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.3 OUTLIER -157.21 114.01 3.01 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 179.228 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.507 ' O ' ' N ' ' A' ' 108' ' ' GLY . 96.4 p -39.09 -39.86 0.62 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.275 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -85.16 -21.85 29.04 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.632 -0.427 . . . . 0.0 111.37 -179.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.94 -63.89 1.51 Allowed Glycine 0 CA--C 1.525 0.7 0 C-N-CA 120.291 -0.957 . . . . 0.0 110.842 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 60.3 m -79.37 -69.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.748 0.309 . . . . 0.0 111.114 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.801 ' HB1' HD13 ' A' ' 143' ' ' LEU . . . -57.7 -25.78 60.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.618 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -67.38 -61.37 5.14 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.606 -0.997 . . . . 0.0 110.606 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -49.54 -29.6 7.15 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.527 -0.469 . . . . 0.0 109.875 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 3.7 t -71.82 -44.48 67.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.054 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 44.3 ttt85 -54.25 -58.75 6.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.209 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -50.65 -45.86 58.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.368 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 117' ' ' ASN . 5.6 t80 -53.13 -51.3 62.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.414 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 116' ' ' GLU . 8.9 mt -61.92 -58.57 7.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.448 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -49.68 -16.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.396 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 114' ' ' LEU . 36.8 tt0 -110.06 -22.5 11.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 113' ' ' PHE . 3.8 m120 -135.19 46.88 2.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.782 0.325 . . . . 0.0 111.021 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.423 ' C ' ' H ' ' A' ' 120' ' ' VAL . 1.0 OUTLIER -49.72 -11.8 0.06 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.719 -179.858 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.51 ' CE1' ' CG2' ' A' ' 120' ' ' VAL . 6.6 p80 -76.94 19.3 0.3 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.887 0.375 . . . . 0.0 110.534 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.51 ' CG2' ' CE1' ' A' ' 119' ' ' HIS . 41.5 t -143.04 136.98 26.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.506 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -91.64 129.32 37.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.556 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.508 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -111.14 112.7 24.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.505 -179.763 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.508 ' N ' HD13 ' A' ' 122' ' ' LEU . 37.5 mtp180 -110.92 128.48 55.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.361 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.1 mm -106.53 125.3 62.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -123.94 105.02 9.26 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.761 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -96.07 111.12 23.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.157 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.63 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -78.54 -40.38 35.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -135.37 152.64 51.63 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.55 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.401 ' H ' ' CD ' ' A' ' 128' ' ' ARG . 3.5 mt -124.3 97.51 4.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.677 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -150.99 37.1 0.62 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.52 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 132' ' ' TYR . 11.0 t70 -84.01 160.04 21.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.641 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . 0.529 ' N ' ' OD1' ' A' ' 131' ' ' ASP . 0.2 OUTLIER -81.81 10.14 6.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.67 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.5 ' C ' ' H ' ' A' ' 135' ' ' LEU . 5.9 m-20 -126.02 78.66 70.06 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.748 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.479 ' C ' ' H ' ' A' ' 136' ' ' TYR . 50.7 Cg_exo -51.42 -4.11 0.08 OUTLIER 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.713 2.276 . . . . 0.0 112.357 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.5 ' H ' ' C ' ' A' ' 133' ' ' ASP . 5.8 mt -57.17 -4.4 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.583 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.479 ' H ' ' C ' ' A' ' 134' ' ' PRO . 1.5 p90 -46.14 -23.84 0.37 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.682 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 41.9 tttp -76.8 -62.27 1.69 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.335 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -52.2 -19.58 2.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.286 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -77.67 -55.3 5.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.361 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.9 tt -54.67 -20.66 8.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.333 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -83.99 -61.04 1.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.158 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -64.42 -24.19 67.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.963 -179.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.801 HD13 ' HB1' ' A' ' 107' ' ' ALA . 16.1 tp -79.98 -53.22 6.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.464 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -47.72 -42.23 24.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.456 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -23.07 67.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.607 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.407 ' HB3' ' O ' ' A' ' 143' ' ' LEU . . . -77.36 -20.2 55.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.616 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 112.59 -34.36 5.18 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.522 ' HB3' ' HG ' ' A' ' 143' ' ' LEU . . . -41.83 151.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.757 0.313 . . . . 0.0 110.469 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -97.4 137.96 35.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.572 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.31 119.99 45.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.493 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.16 161.87 41.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.596 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -90.91 144.26 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.53 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.587 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 9.3 ttt -55.88 115.01 2.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.502 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 23.8 p -98.16 167.05 11.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.645 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -48.14 -58.15 4.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.565 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.84 -46.94 21.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.633 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.64 -38.12 89.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.778 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.587 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 1.1 m-85 -62.21 -46.62 88.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.775 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 14.3 ttpp -55.29 -52.24 64.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.599 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -67.32 -54.51 20.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.779 -179.667 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.599 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 8.4 t -56.3 -23.78 38.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.018 -179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' TRP . . . . . 0.632 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 3.2 t-105 -72.45 -68.07 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.89 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . 0.632 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.5 OUTLIER -64.57 -14.18 56.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.331 -179.23 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 98.3 m -82.91 -26.19 31.73 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.811 -0.355 . . . . 0.0 111.091 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -121.6 18.8 11.22 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.515 -179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.525 ' C ' ' H ' ' A' ' 168' ' ' HIS . 65.6 t -134.36 154.57 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 121.102 0.477 . . . . 0.0 111.266 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . 0.456 ' N ' HG12 ' A' ' 166' ' ' VAL . 1.6 t70 -76.08 33.24 0.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.557 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.746 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -37.95 -52.69 1.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.097 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . 0.623 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 15.0 mm-40 39.93 17.9 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.454 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . 0.746 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 141.68 -0.67 1.7 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.606 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 1.4 m -114.31 86.89 12.68 Favored Pre-proline 0 CA--C 1.531 0.214 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -78.08 162.33 28.96 Favored 'Trans proline' 0 C--N 1.313 -1.301 0 C-N-CA 122.06 1.84 . . . . 0.0 112.732 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -51.53 136.45 26.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.644 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -120.21 84.45 34.2 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.657 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -48.66 138.97 24.74 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 122.257 1.971 . . . . 0.0 112.194 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 2.0 p90 -100.74 178.34 4.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.633 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . 0.435 ' N ' ' OD1' ' A' ' 177' ' ' ASP . 1.2 m-20 -81.25 86.8 6.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.582 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 155.8 -19.41 0.5 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.5 -45.7 80.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 110.529 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -59.49 4.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.622 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 66.4 mt-10 -55.15 -61.78 2.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.592 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 -42.48 -42.36 3.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.593 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 2.8 t -58.28 -49.36 77.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.621 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -53.71 -35.75 61.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -61.81 -59.54 5.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.547 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 7.7 mt -55.96 -57.94 9.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.532 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 1.1 m -52.56 -44.49 65.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.557 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -52.12 -37.47 46.25 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 2.5 tpp180 -66.25 -58.82 4.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.788 0.327 . . . . 0.0 110.569 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -46.95 -39.16 11.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.416 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -66.32 -48.82 69.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.522 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -47.66 -48.86 28.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.564 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . 0.536 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -69.56 -30.6 45.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.597 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 2.3 tp -73.11 0.22 12.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.535 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.46 -65.77 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.613 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -144.89 143.69 30.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.592 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 199' ' ' ASN . 14.4 tt0 -53.35 -64.44 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.574 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -62.38 77.78 0.03 OUTLIER Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 199' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 197' ' ' GLN . 1.1 m120 . . . . . 0 C--O 1.219 -0.522 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.618 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 mmt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -70.22 112.35 6.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.534 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.75 -56.97 4.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.615 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.1 t 52.33 60.04 13.69 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.642 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.462 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 54.6 Cg_endo -73.27 -86.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.307 -1.608 0 C-N-CA 122.652 2.234 . . . . 0.0 112.18 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 5' ' ' PRO . . . 67.05 175.39 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.606 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.98 160.14 39.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.514 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -163.84 68.17 0.22 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -50.13 127.79 20.67 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.862 2.374 . . . . 0.0 112.137 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -162.3 -77.42 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.486 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -167.98 86.71 0.22 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.421 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.822 HD22 ' N ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -98.36 174.31 6.55 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.397 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.527 ' HB2' HD11 ' A' ' 17' ' ' ILE . 1.1 ptp -76.97 167.49 21.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.079 179.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 16' ' ' HIS . 0.1 OUTLIER -74.7 123.92 89.34 Favored Pre-proline 0 CA--C 1.539 0.52 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.614 -179.617 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.424 ' O ' ' OG1' ' A' ' 19' ' ' THR . 72.2 Cg_exo -43.24 -17.1 0.09 OUTLIER 'Trans proline' 0 N--CA 1.491 1.348 0 C-N-CA 121.767 1.645 . . . . 0.0 111.546 179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.568 ' CG ' ' N ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -75.41 -58.31 3.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.001 -179.707 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.568 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 26.3 pt -61.86 -19.69 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.724 -0.39 . . . . 0.0 110.888 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -74.0 -61.26 1.91 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.663 179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -53.69 -23.92 12.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.162 179.618 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.459 ' C ' ' H ' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -85.21 -61.05 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.609 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -55.98 -6.28 0.23 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.711 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.459 ' H ' ' C ' ' A' ' 20' ' ' SER . 34.8 m-85 -127.99 12.6 6.71 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.734 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.39 109.56 12.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.584 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.414 ' OD1' ' NH2' ' A' ' 128' ' ' ARG . 0.5 OUTLIER -41.08 135.68 1.74 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.648 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.758 ' H ' HH12 ' A' ' 128' ' ' ARG . . . 88.37 98.61 0.96 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.4 pt -147.85 -171.67 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.736 0.303 . . . . 0.0 110.545 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.58 46.62 0.07 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.52 162.12 35.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.767 0.318 . . . . 0.0 110.576 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -99.87 100.97 11.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.77 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.2 tmtp? -172.51 36.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.217 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.702 HG22 ' CD2' ' A' ' 98' ' ' TRP . 1.3 p -47.49 162.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.946 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -125.28 149.03 48.43 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.379 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.6 tp -134.25 112.97 11.5 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.618 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.0 103.06 12.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.955 179.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.467 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 34.4 p90 -95.4 136.97 35.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 -179.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -121.83 157.54 30.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.961 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.763 HG11 ' CE1' ' A' ' 51' ' ' HIS . 6.2 t -135.19 128.87 49.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.84 0.353 . . . . 0.0 110.86 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.57 139.44 31.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.609 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.5 HH22 ' CD ' ' A' ' 88' ' ' GLN . 5.6 ptm85 -92.16 146.49 23.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.591 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.3 mp -103.89 132.35 50.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.634 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -145.17 101.98 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.589 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 56.72 38.69 29.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.574 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.52 -26.98 8.27 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.7 m -72.3 114.51 10.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.77 0.319 . . . . 0.0 110.601 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 68.0 m -102.02 106.91 17.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.586 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 63.4 t -95.29 132.4 39.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.411 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -89.76 136.85 32.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.644 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -91.15 146.21 24.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.481 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.68 -49.81 6.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.612 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -97.9 72.33 2.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.615 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.763 ' CE1' HG11 ' A' ' 37' ' ' VAL . 23.5 t-80 -170.42 -7.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.556 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.404 ' H ' ' H ' ' A' ' 51' ' ' HIS . 2.2 ptt180 -103.57 170.77 7.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.625 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.467 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . 177.17 178.94 47.26 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -142.16 147.69 37.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.827 0.346 . . . . 0.0 110.714 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mp -134.85 178.57 6.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.701 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.646 ' CE1' HH22 ' A' ' 74' ' ' ARG . 10.2 p80 -135.31 160.58 37.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.577 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.517 ' ND2' ' OG1' ' A' ' 31' ' ' THR . 0.9 OUTLIER -54.66 170.02 0.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.895 0.378 . . . . 0.0 110.647 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 70.89 -173.27 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.542 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.401 ' O ' ' CB ' ' A' ' 60' ' ' LYS . . . -177.94 10.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.576 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.401 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 4.4 tttp 74.04 -155.96 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.61 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.9 m120 53.63 23.36 3.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.425 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.595 ' H ' HD12 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -42.6 -45.55 4.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.561 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.428 ' C ' ' H ' ' A' ' 65' ' ' GLY . 3.2 mp -50.06 -40.15 44.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.719 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -62.7 -2.41 1.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.606 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.428 ' H ' ' C ' ' A' ' 63' ' ' LEU . . . 83.5 11.9 79.23 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.25 -0.09 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 0.0 110.483 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.414 ' H ' ' C ' ' A' ' 65' ' ' GLY . 4.4 m-85 -41.78 126.8 3.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.528 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.8 68.69 1.3 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -131.49 133.69 45.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.794 0.331 . . . . 0.0 110.454 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.708 ' H ' ' CD2' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -102.04 148.29 25.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.63 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.63 ' HB2' ' C ' ' A' ' 56' ' ' HIS . . . -56.27 -36.3 68.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.484 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.456 ' CB ' ' SG ' ' A' ' 106' ' ' CYS . 1.1 mm-40 -45.65 -42.28 11.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.661 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.509 ' CD1' ' CE1' ' A' ' 70' ' ' HIS . 13.9 mt -68.31 -57.63 5.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.486 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.646 HH22 ' CE1' ' A' ' 56' ' ' HIS . 5.0 ttm180 -47.42 -26.44 1.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.379 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -79.14 -37.39 38.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.435 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.94 -30.12 68.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.26 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -74.17 -18.12 60.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.386 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.53 HD23 ' HB2' ' A' ' 81' ' ' SER . 0.9 OUTLIER -79.31 -27.89 42.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.604 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.411 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 4.7 t -38.69 -59.81 1.26 Allowed Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.556 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.491 ' C ' ' H ' ' A' ' 82' ' ' LEU . 8.5 Cg_endo -50.62 -42.51 49.6 Favored 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 121.884 1.723 . . . . 0.0 111.998 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.53 ' HB2' HD23 ' A' ' 78' ' ' LEU . 0.1 OUTLIER -52.57 -8.95 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.571 179.896 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.506 HD22 ' NE2' ' A' ' 51' ' ' HIS . 44.9 mt -102.08 -24.38 13.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.522 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 47.79 50.84 14.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.68 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.5 mt -61.82 134.48 56.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.569 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.53 160.92 26.03 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.403 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' A' ' 87' ' ' ALA . 43.1 Cg_endo -70.01 3.83 2.66 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 122.525 2.15 . . . . 0.0 112.272 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' ' 86' ' ' PRO . . . -41.21 -94.63 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.67 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.757 ' H ' ' NE2' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -103.36 -177.06 3.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.575 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' ' 90' ' ' TYR . 3.2 mm -84.94 157.48 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.559 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.478 ' N ' HG22 ' A' ' 89' ' ' ILE . 10.9 m-85 -136.01 168.81 18.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.673 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.532 ' NH1' HH11 ' A' ' 123' ' ' ARG . 11.2 ttt180 -148.12 112.42 5.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.449 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 82.3 t -96.8 118.88 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.3 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.9 m -102.59 121.6 42.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 27.9 m0 -100.6 131.14 46.67 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 120.98 0.419 . . . . 0.0 110.675 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -120.7 102.76 8.61 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 177.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -109.94 137.06 43.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.166 0.508 . . . . 0.0 111.934 -177.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.497 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 3.0 p -80.71 -26.59 37.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.453 178.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.702 ' CD2' HG22 ' A' ' 31' ' ' THR . 13.2 m95 -110.87 178.3 4.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.018 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.45 ' CB ' HG23 ' A' ' 129' ' ' ILE . 1.8 t -92.37 151.31 41.31 Favored Pre-proline 0 CA--C 1.532 0.272 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.581 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.436 ' O ' ' O ' ' A' ' 99' ' ' SER . 64.2 Cg_exo -42.2 171.02 0.01 OUTLIER 'Trans proline' 0 N--CA 1.491 1.355 0 C-N-CA 122.195 1.93 . . . . 0.0 112.317 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.586 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 30.3 p -108.05 -126.8 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.391 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.586 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -73.42 105.74 4.92 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.2 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.88 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 89.4 p -40.03 -25.87 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.015 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.458 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -84.9 -29.34 25.28 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.778 -0.369 . . . . 0.0 111.201 -179.581 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -77.3 -61.69 2.58 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . 0.456 ' SG ' ' CB ' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -74.1 -69.17 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.688 0.28 . . . . 0.0 111.219 -179.644 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.88 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -50.69 -27.64 7.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.088 -179.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.13 -56.89 10.49 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -59.17 -39.04 81.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.79 0.328 . . . . 0.0 110.528 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 91.0 t -69.48 -58.57 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.515 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -41.87 -59.02 1.83 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.438 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.28 -46.3 62.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.522 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.514 ' O ' ' N ' ' A' ' 117' ' ' ASN . 20.3 t80 -54.35 -48.44 71.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.627 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.448 ' C ' ' N ' ' A' ' 116' ' ' GLU . 6.9 mp -66.66 -58.52 4.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.573 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -47.71 -18.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.301 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 114' ' ' LEU . 30.2 tt0 -110.21 -25.4 10.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.709 ' O ' HG12 ' A' ' 120' ' ' VAL . 2.5 m120 -137.03 53.9 1.88 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.843 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.0 t -61.83 2.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.827 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.48 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.1 OUTLIER -76.07 6.99 4.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.88 0.372 . . . . 0.0 110.313 179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.709 HG12 ' O ' ' A' ' 117' ' ' ASN . 7.1 p -131.68 144.61 36.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.488 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.35 148.7 22.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.389 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.509 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -135.08 112.95 10.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.689 -179.557 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.532 HH11 ' NH1' ' A' ' 91' ' ' ARG . 17.1 mtp180 -112.58 127.06 55.98 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.123 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 3.0 mm -105.93 121.33 58.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.091 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.403 ' CD1' ' OE1' ' A' ' 157' ' ' GLU . 61.1 m-85 -119.89 101.77 8.1 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.807 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -91.64 111.29 22.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.159 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.497 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -76.38 -56.39 4.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.115 -179.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.758 HH12 ' H ' ' A' ' 25' ' ' GLY . 13.1 mtp180 -121.05 170.66 9.31 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.905 0.383 . . . . 0.0 110.784 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.45 HG23 ' CB ' ' A' ' 99' ' ' SER . 6.2 mt -133.94 124.66 47.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.753 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -165.38 107.72 0.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.509 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -171.31 138.78 1.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.63 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -75.25 9.99 1.79 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.394 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.516 ' C ' ' H ' ' A' ' 135' ' ' LEU . 50.6 m-20 -120.84 81.97 34.77 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.503 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.477 ' C ' ' H ' ' A' ' 136' ' ' TYR . 50.3 Cg_exo -50.18 -4.26 0.06 OUTLIER 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 122.527 2.151 . . . . 0.0 112.543 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.516 ' H ' ' C ' ' A' ' 133' ' ' ASP . 5.4 mt -49.99 -10.65 0.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.624 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.477 ' H ' ' C ' ' A' ' 134' ' ' PRO . 1.1 p90 -48.9 -30.81 6.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.524 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.409 ' CG ' ' N ' ' A' ' 138' ' ' GLU . 33.1 pttt -61.08 -45.67 93.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.266 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.409 ' N ' ' CG ' ' A' ' 137' ' ' LYS . 4.8 tt0 -61.85 -37.74 85.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.401 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -58.67 -38.57 78.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.387 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.8 mt -67.28 -38.15 84.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.571 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -74.32 -60.74 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.662 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.8 mmm -46.47 -38.29 8.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.505 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.496 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 16.8 mt -64.9 -49.1 71.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.421 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -49.09 -53.34 21.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.505 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.422 ' N ' ' OD1' ' A' ' 145' ' ' ASP . 1.6 m-20 -58.15 -11.15 2.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.531 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 143' ' ' LEU . . . -96.71 5.01 51.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.652 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 67.21 15.35 65.33 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -85.27 159.39 20.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.726 0.298 . . . . 0.0 110.579 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -96.7 134.09 40.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.55 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.87 116.58 30.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.537 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.18 160.21 42.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.612 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -85.79 142.38 13.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.49 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.54 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 4.5 ttt -49.91 122.31 6.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.521 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 25.1 p -100.51 177.12 5.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.688 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -63.64 -44.28 94.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.728 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.68 -46.11 90.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.622 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.403 ' OE1' ' CD1' ' A' ' 125' ' ' PHE . 65.1 mt-10 -64.66 -29.15 70.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.63 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.54 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 0.5 OUTLIER -64.78 -51.59 61.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.664 -179.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . 0.431 ' O ' ' OD2' ' A' ' 163' ' ' ASP . 32.3 tttm -56.41 -49.66 73.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.592 ' CD2' ' N ' ' A' ' 161' ' ' CYS . 0.6 OUTLIER -66.94 -57.85 6.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.849 -179.714 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.592 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 12.7 t -56.41 -23.37 37.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.021 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' TRP . . . . . 0.614 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 6.6 t-105 -71.02 -70.68 0.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.18 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . 0.614 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.3 OUTLIER -66.91 -14.32 62.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.652 -179.025 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 79.8 m -81.28 -27.0 35.28 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.75 -0.38 . . . . 0.0 111.126 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -121.85 19.63 10.95 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.752 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.54 ' C ' ' H ' ' A' ' 168' ' ' HIS . 75.5 t -134.14 153.48 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-O 121.062 0.458 . . . . 0.0 111.552 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . 0.414 ' N ' HG12 ' A' ' 166' ' ' VAL . 15.3 t70 -76.12 34.55 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.282 179.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.729 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -41.22 -54.33 2.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.733 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . 0.623 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 64.4 mt-30 41.93 16.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.141 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . 0.729 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 144.16 -2.5 1.36 Allowed Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.367 -0.693 . . . . 0.0 111.367 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.623 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 0.5 OUTLIER -98.97 107.19 42.46 Favored Pre-proline 0 CA--C 1.538 0.486 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.783 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -77.12 158.34 33.91 Favored 'Trans proline' 0 N--CA 1.489 1.235 0 C-N-CA 121.711 1.607 . . . . 0.0 112.398 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -51.54 149.96 4.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.697 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -114.29 84.78 9.75 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.434 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -77.84 131.27 11.06 Favored 'Trans proline' 0 C--N 1.312 -1.344 0 C-N-CA 122.142 1.895 . . . . 0.0 112.198 -179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 27.9 p90 -92.27 176.18 6.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.564 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.28 86.46 5.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.366 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 180' ' ' ASP . . . -168.18 -22.33 0.02 OUTLIER Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . 0.527 ' H ' HD12 ' A' ' 179' ' ' LEU . 10.4 mp -39.38 -30.11 0.06 Allowed 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.934 0.397 . . . . 0.0 110.657 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 178' ' ' GLY . 1.9 m-20 -55.97 -63.41 1.19 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.212 179.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -84.89 -54.89 4.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' HIS . . . . . 0.461 ' ND1' ' C ' ' A' ' 182' ' ' HIS . 0.0 OUTLIER -41.71 -44.0 3.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.052 -179.337 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . 0.417 ' OG ' ' N ' ' A' ' 184' ' ' GLN . 5.5 p -78.99 -55.88 4.8 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.749 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . 0.417 ' N ' ' OG ' ' A' ' 183' ' ' SER . 31.6 mt-30 -49.23 -23.22 1.25 Allowed 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.402 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -79.29 -63.24 1.46 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.475 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 4.8 mt -58.77 -53.37 59.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.378 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 8.0 t -59.98 -43.33 95.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.257 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -51.64 -43.35 53.36 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 12.6 mmm-85 -59.84 -61.32 2.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.753 0.311 . . . . 0.0 110.234 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.9 mp -45.92 -45.11 15.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.35 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -53.15 -41.19 64.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.41 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -61.22 -41.85 97.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.563 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . 0.53 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.8 mp -69.92 -34.79 61.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.466 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.46 -1.88 57.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.652 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -54.54 -15.75 1.95 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.566 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -62.76 -63.34 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.518 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.18 106.87 4.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.486 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 161.27 -138.45 5.46 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.535 -179.904 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.4 ' O ' ' OE2' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.4 ' OE2' ' O ' ' A' ' 1' ' ' MET . 1.4 mp0 -128.79 129.57 45.84 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.469 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -167.65 150.5 5.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.544 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.7 p 43.75 59.58 12.17 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.682 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -73.04 113.79 3.87 Favored 'Trans proline' 0 C--N 1.306 -1.671 0 C-N-CA 122.679 2.253 . . . . 0.0 112.146 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 49.78 179.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.648 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.0 t -103.33 -53.16 2.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.623 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 62.58 61.54 6.43 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -74.14 123.24 8.17 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.797 2.331 . . . . 0.0 112.33 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.3 mmt-85 -125.59 97.8 5.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.44 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.772 ' C ' HD13 ' A' ' 12' ' ' LEU . 1.6 t-80 69.38 92.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.287 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.904 HD22 ' H ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -119.52 164.01 16.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.885 179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 18.6 ptp -91.0 166.97 12.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.381 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.71 141.62 97.86 Favored Pre-proline 0 CA--C 1.536 0.442 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.5 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.439 ' O ' ' OG1' ' A' ' 19' ' ' THR . 73.6 Cg_exo -41.14 -46.88 5.3 Favored 'Trans proline' 0 N--CA 1.489 1.259 0 C-N-CA 122.031 1.821 . . . . 0.0 112.366 179.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 12.7 t60 -67.49 -45.23 76.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.272 -179.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.9 mm -48.84 -43.62 14.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.699 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -71.29 -60.96 1.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.788 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.529 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -44.48 -55.74 4.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.514 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.7 t -49.77 -52.1 34.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.685 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.42 ' OD1' ' CE1' ' A' ' 32' ' ' TYR . 6.8 m120 -63.02 -15.49 56.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.63 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -133.16 35.01 3.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.63 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.529 ' N ' ' O ' ' A' ' 19' ' ' THR . 27.5 t-20 -98.69 59.56 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.613 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.439 HD21 ' CD2' ' A' ' 182' ' ' HIS . 12.2 t-20 41.77 94.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.577 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.695 ' H ' ' HE ' ' A' ' 128' ' ' ARG . . . 105.14 166.99 23.98 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.493 ' C ' HD12 ' A' ' 26' ' ' ILE . 1.4 pp -140.39 -167.81 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 121.13 -0.228 . . . . 0.0 110.486 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -117.59 -88.76 1.33 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.97 137.1 3.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.0 110.617 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.6 m170 47.3 68.48 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.471 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.85 20.48 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.33 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.678 HG22 ' CG ' ' A' ' 98' ' ' TRP . 30.0 p -46.93 127.25 9.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.798 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.42 ' CE1' ' OD1' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -109.11 147.65 32.1 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.525 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.7 tp -142.96 111.73 6.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.365 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.539 ' SG ' ' CG ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -100.19 115.15 29.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.143 179.585 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.468 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 42.0 p90 -104.17 134.45 47.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.727 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 1.3 tm-20 -129.76 130.96 46.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.415 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.679 HG21 ' ND1' ' A' ' 51' ' ' HIS . 58.9 t -104.67 118.94 52.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.775 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -122.26 166.31 14.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.304 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -128.71 133.42 48.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.185 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.411 ' CB ' HD11 ' A' ' 89' ' ' ILE . 1.4 mp -101.4 99.09 9.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.836 0.351 . . . . 0.0 110.672 -179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.83 99.08 8.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.564 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 54.12 48.3 21.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.691 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.51 -24.9 4.69 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.6 m -71.04 101.18 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.734 0.302 . . . . 0.0 110.585 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.7 p -90.56 122.99 33.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.539 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -133.76 124.97 48.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.606 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 pttp -81.71 139.54 34.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.548 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 mmt -76.45 161.41 28.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.601 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.91 -50.25 5.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.552 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.446 ' CG ' ' O ' ' A' ' 50' ' ' GLN . 2.3 pt20 -106.71 77.4 1.18 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.407 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.845 ' NE2' HD22 ' A' ' 82' ' ' LEU . 8.3 t-80 -172.29 2.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.518 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.401 ' H ' ' H ' ' A' ' 51' ' ' HIS . 1.4 ptt180 -113.34 170.14 8.44 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.665 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.468 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . 172.75 -167.7 40.61 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -144.29 156.52 44.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.786 0.327 . . . . 0.0 110.617 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.2 mt -137.5 178.61 6.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.583 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -154.93 151.02 28.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.377 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 15.4 p-10 -68.72 167.7 14.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.732 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 40.84 86.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.694 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.56 ' CB ' ' NH1' ' A' ' 74' ' ' ARG . . . -109.36 95.31 5.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.541 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.85 104.96 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.553 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -141.2 134.13 29.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.642 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.523 HD22 ' N ' ' A' ' 62' ' ' LEU . 3.9 mm? -86.11 -3.8 59.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.481 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.455 ' N ' HD12 ' A' ' 63' ' ' LEU . 10.9 mp -50.6 -50.79 53.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.671 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.469 ' O ' ' SG ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER -103.09 -11.36 18.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.551 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.19 -18.9 47.68 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 171.36 126.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 110.551 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -105.1 140.34 38.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.547 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -148.25 53.59 0.53 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -138.53 144.99 40.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.847 0.356 . . . . 0.0 110.588 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.717 ' H ' ' CD2' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -52.52 170.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.523 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.46 -42.23 62.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.408 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -50.84 -35.9 34.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.621 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.7 mp -70.5 -54.0 13.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.531 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.56 ' NH1' ' CB ' ' A' ' 59' ' ' ALA . 68.3 ttt180 -55.52 -24.66 33.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.353 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -74.51 -49.43 22.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.235 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.4 tp -61.42 -19.46 61.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.469 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.1 -40.31 94.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.625 -179.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.7 pp -95.25 -5.32 43.98 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.283 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.42 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 3.2 t -55.04 -58.06 16.6 Favored Pre-proline 0 CA--C 1.535 0.376 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.386 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 12.9 Cg_endo -56.82 -17.37 23.22 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 121.599 1.532 . . . . 0.0 111.827 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 p -66.74 -8.75 30.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.621 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.845 HD22 ' NE2' ' A' ' 51' ' ' HIS . 33.6 mt -92.28 -24.74 18.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.579 -179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 51.08 49.49 21.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.814 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 59.4 mt -58.25 136.86 57.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.348 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.0 161.38 25.76 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.62 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.88 -10.52 24.89 Favored 'Trans proline' 0 C--N 1.31 -1.481 0 C-N-CA 122.664 2.243 . . . . 0.0 112.1 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.43 ' C ' ' NE2' ' A' ' 88' ' ' GLN . . . -40.85 -77.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.691 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.57 ' N ' ' NE2' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -109.54 161.47 15.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.453 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.411 HD11 ' CB ' ' A' ' 40' ' ' LEU . 0.7 OUTLIER -89.08 153.33 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.415 179.877 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -129.23 132.17 47.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.907 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -97.97 110.58 23.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.771 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 40.7 t -90.64 110.28 21.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.203 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.74 119.36 32.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.67 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 8.0 m0 -103.55 132.02 50.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.786 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.535 ' CE1' ' OE1' ' A' ' 157' ' ' GLU . 79.5 m-85 -125.13 103.32 7.92 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.79 145.67 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.095 0.474 . . . . 0.0 111.886 -178.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.664 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 2.8 p -96.95 -29.54 13.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.955 179.104 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.678 ' CG ' HG22 ' A' ' 31' ' ' THR . 15.8 m95 -111.72 140.78 46.06 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.583 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.03 160.7 54.3 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.426 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -60.25 173.01 2.13 Favored 'Trans proline' 0 C--N 1.31 -1.453 0 C-N-CA 122.517 2.144 . . . . 0.0 112.108 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -111.76 -57.35 2.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.844 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.522 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.2 OUTLIER -127.0 109.28 11.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.859 179.817 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.528 ' O ' ' N ' ' A' ' 108' ' ' GLY . 93.5 p -41.11 -34.67 0.47 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.893 -179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -85.28 -22.81 28.42 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.371 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.36 -63.17 1.59 Allowed Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.7 -67.99 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.643 0.258 . . . . 0.0 111.105 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.599 ' HB1' HD13 ' A' ' 143' ' ' LEU . . . -60.04 -31.06 69.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.935 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -65.23 -59.24 8.12 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -53.83 -27.91 32.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.91 0.386 . . . . 0.0 110.303 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.7 t -72.28 -63.01 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.75 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.408 HH22 ' HE2' ' A' ' 142' ' ' MET . 8.9 ptp180 -51.2 -32.2 22.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.205 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -60.36 -61.62 2.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.148 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.408 ' CZ ' ' CG1' ' A' ' 79' ' ' VAL . 31.6 t80 -46.29 -31.36 2.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.175 179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.3 tp -70.92 -52.9 17.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.27 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -48.67 -24.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.36 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -99.15 -46.35 5.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.16 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.631 ' O ' HG22 ' A' ' 120' ' ' VAL . 3.1 m120 -104.3 41.59 1.29 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.998 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.454 ' C ' ' H ' ' A' ' 120' ' ' VAL . 15.1 t -45.56 -13.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.146 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.538 ' CE1' ' CG1' ' A' ' 120' ' ' VAL . 17.6 p80 -76.24 20.37 0.21 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.918 0.389 . . . . 0.0 110.579 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 117' ' ' ASN . 4.2 m -142.0 146.58 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.825 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.32 148.45 22.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.191 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.493 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -127.18 112.31 14.98 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.618 -179.655 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.639 HH21 HE21 ' A' ' 149' ' ' GLN . 44.9 mtp180 -117.17 117.68 30.24 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.954 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 4.7 mt -105.63 134.76 46.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.372 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -127.13 116.25 20.37 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.438 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -95.31 113.83 25.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.254 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.664 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -85.93 -41.21 15.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.695 ' HE ' ' H ' ' A' ' 25' ' ' GLY . 0.5 OUTLIER -135.72 142.99 45.12 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.446 179.826 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.521 ' O ' ' CG ' ' A' ' 130' ' ' TYR . 0.5 OUTLIER -103.15 119.83 52.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.747 -179.754 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.521 ' CG ' ' O ' ' A' ' 129' ' ' ILE . 28.3 m-85 -164.64 119.77 1.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.451 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.47 ' C ' ' H ' ' A' ' 133' ' ' ASP . 1.8 p-10 -179.77 133.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.603 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -70.04 9.89 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.503 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.507 ' C ' ' H ' ' A' ' 135' ' ' LEU . 35.2 t0 -126.23 79.4 70.03 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.344 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.481 ' C ' ' H ' ' A' ' 136' ' ' TYR . 52.9 Cg_exo -49.11 -5.27 0.05 OUTLIER 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 122.669 2.246 . . . . 0.0 112.625 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.507 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.6 tp -49.17 -11.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.36 . . . . 0.0 110.63 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.481 ' H ' ' C ' ' A' ' 134' ' ' PRO . 0.1 OUTLIER -42.17 -26.99 0.12 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.534 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -62.83 -55.94 21.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.388 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -62.61 -18.77 62.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.432 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 136' ' ' TYR . . . -67.83 -52.02 41.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.449 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.422 HD21 HD11 ' A' ' 190' ' ' LEU . 9.8 mp -63.54 -35.61 81.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.52 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -71.58 -58.06 3.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.536 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.408 ' HE2' HH22 ' A' ' 111' ' ' ARG . 5.8 mmm -47.06 -36.44 8.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.491 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.599 HD13 ' HB1' ' A' ' 107' ' ' ALA . 2.1 tp -80.56 -34.01 35.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.585 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -52.98 -37.66 61.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.55 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.33 -3.04 58.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.525 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -95.29 -22.13 17.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.632 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 90.25 87.5 1.34 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -156.54 163.7 39.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.753 0.311 . . . . 0.0 110.537 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.639 HE21 HH21 ' A' ' 123' ' ' ARG . 0.0 OUTLIER -103.1 108.31 19.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.678 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -116.82 121.35 67.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.436 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.36 162.09 41.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.825 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.3 tp -82.74 152.19 4.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.415 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 9.0 ttm -45.71 123.58 4.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.658 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . 0.455 ' H ' ' HB2' ' A' ' 157' ' ' GLU . 2.6 p -105.41 171.98 7.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.477 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -55.84 -59.22 5.18 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.397 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.519 ' N ' ' OD1' ' A' ' 156' ' ' ASP . 13.2 p-10 -60.7 -20.44 61.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.535 ' OE1' ' CE1' ' A' ' 95' ' ' PHE . 0.0 OUTLIER -51.15 -66.19 0.43 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 -179.527 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.575 ' CE1' ' CE2' ' A' ' 173' ' ' PHE . 13.2 p90 -72.32 -29.69 64.06 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.629 -0.428 . . . . 0.0 111.136 -179.233 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . 0.445 ' N ' ' CD1' ' A' ' 158' ' ' PHE . 19.9 tttp -49.28 -60.75 2.55 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.543 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.552 ' CD2' ' N ' ' A' ' 161' ' ' CYS . 0.2 OUTLIER -68.22 -57.74 5.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.901 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.552 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 1.7 m -47.29 -31.58 3.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.837 -179.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' TRP . . . . . 0.514 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 15.5 t-105 -66.86 -70.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.919 -0.312 . . . . 0.0 110.475 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . 0.514 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -52.96 -19.42 2.6 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.843 -179.839 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 5.1 m -87.69 -57.13 3.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.955 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.539 ' CG ' ' SG ' ' A' ' 34' ' ' CYS . 65.4 m-85 -85.72 20.0 2.29 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.495 ' C ' ' H ' ' A' ' 168' ' ' HIS . 61.1 t -144.03 134.87 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.295 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 169' ' ' GLN . 10.3 t0 -74.98 41.52 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 178.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.693 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -44.47 -15.75 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.542 -179.612 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . 0.528 ' N ' ' O ' ' A' ' 167' ' ' ASP . 35.3 mm-40 42.78 15.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.474 179.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . 0.693 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 122.79 29.79 1.22 Allowed Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.439 -0.665 . . . . 0.0 111.439 179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.625 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.8 OUTLIER -116.12 85.21 14.92 Favored Pre-proline 0 CA--C 1.534 0.333 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.695 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -47.96 162.17 0.3 Allowed 'Trans proline' 0 N--CA 1.492 1.412 0 C-N-CA 122.428 2.086 . . . . 0.0 112.582 -179.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.575 ' CE2' ' CE1' ' A' ' 158' ' ' PHE . 56.1 t80 -54.53 149.92 9.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.175 -179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -114.51 86.0 11.87 Favored Pre-proline 0 CA--C 1.532 0.265 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.203 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -78.13 139.17 16.79 Favored 'Trans proline' 0 C--N 1.313 -1.309 0 C-N-CA 122.167 1.912 . . . . 0.0 112.649 -179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 42.9 p90 -98.12 -165.64 1.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.525 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -101.72 109.99 21.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.627 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 152.24 -19.11 0.82 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.856 -0.897 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.3 mp -40.5 -41.52 1.45 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.736 0.303 . . . . 0.0 110.743 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 180' ' ' ASP . 17.4 p-10 -68.74 -52.18 33.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.839 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -60.84 -61.69 2.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.737 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' HIS . . . . . 0.439 ' CD2' HD21 ' A' ' 24' ' ' ASN . 68.4 m-70 -48.55 -55.0 12.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.603 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 59.3 p -50.01 -46.69 53.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.634 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -61.37 -36.97 81.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.536 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -70.05 -65.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.58 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 7.0 mt -52.3 -53.2 47.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.536 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 17.5 t -55.65 -33.16 63.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.502 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -59.06 -48.17 87.22 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . 0.503 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 24.9 ttp180 -60.19 -51.51 69.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 110.451 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.422 HD11 HD21 ' A' ' 140' ' ' LEU . 0.4 OUTLIER -47.88 -48.33 31.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.349 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -66.56 -27.64 67.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.56 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -60.88 -40.43 92.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.577 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . 0.562 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -84.79 -27.39 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.566 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.483 ' C ' ' H ' ' A' ' 196' ' ' ASN . 1.0 OUTLIER -94.06 17.3 12.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.644 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . 0.553 ' NE2' ' N ' ' A' ' 196' ' ' ASN . 0.4 OUTLIER -66.35 5.71 0.52 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.643 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 196' ' ' ASN . . . . . 0.553 ' N ' ' NE2' ' A' ' 195' ' ' GLN . 1.9 m120 -92.46 84.03 5.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.52 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -102.39 175.12 5.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.538 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -143.13 98.01 0.21 Allowed Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.569 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.6 141.38 56.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.566 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -99.44 36.0 1.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.55 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -42.7 163.02 0.15 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.475 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_exo -38.55 107.43 0.06 OUTLIER 'Trans proline' 0 C--N 1.308 -1.556 0 C-N-CA 122.7 2.266 . . . . 0.0 112.21 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.03 -12.77 61.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.514 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.4 t -56.29 145.92 25.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.612 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -178.34 61.24 0.09 OUTLIER Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -74.76 82.55 1.93 Allowed 'Trans proline' 0 C--N 1.306 -1.701 0 C-N-CA 122.772 2.314 . . . . 0.0 112.031 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -122.79 -109.35 0.33 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.598 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.411 ' C ' HD22 ' A' ' 12' ' ' LEU . 1.2 p-80 -132.85 78.15 1.78 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.485 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.832 HD22 ' N ' ' A' ' 12' ' ' LEU . 1.5 mm? -100.87 172.96 6.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.951 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.489 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 1.7 mpp? -84.56 160.33 20.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.216 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -76.33 145.77 76.74 Favored Pre-proline 0 CA--C 1.535 0.393 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.481 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -40.56 -53.01 2.9 Favored 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 122.172 1.915 . . . . 0.0 112.341 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -63.14 -49.23 75.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.099 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.9 mm -48.9 -39.8 11.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.85 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -72.16 -60.55 2.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.756 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 23' ' ' ASN . 40.0 p -47.89 -40.96 23.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.684 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 t -60.51 -51.04 71.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.638 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.603 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 14.3 m120 -73.98 -4.71 36.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.574 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -133.26 25.22 4.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.539 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' A' ' 19' ' ' THR . 0.6 OUTLIER -75.08 59.39 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.498 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.556 HD21 ' CD2' ' A' ' 182' ' ' HIS . 5.1 t-20 42.05 -144.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.472 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -42.75 126.25 4.64 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.475 HG23 ' O ' ' A' ' 24' ' ' ASN . 5.9 pt -135.12 -174.96 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.828 0.347 . . . . 0.0 110.576 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.79 83.35 0.08 OUTLIER Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.522 ' O ' ' CH2' ' A' ' 98' ' ' TRP . 0.2 OUTLIER -162.52 157.35 22.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 110.526 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 48.9 m-70 -93.65 82.15 4.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.537 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.405 ' HA ' HD21 ' A' ' 57' ' ' ASN . 4.0 ttpt -169.71 45.17 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.678 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.515 HG22 ' CG ' ' A' ' 57' ' ' ASN . 3.0 t -46.58 148.88 0.88 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.858 0.361 . . . . 0.0 111.125 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.603 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -110.43 148.27 32.37 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.643 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.407 HD12 ' N ' ' A' ' 34' ' ' CYS . 9.1 tp -138.55 111.13 7.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.152 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.407 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -104.41 112.17 25.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.329 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.562 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 20.8 p90 -102.53 139.52 38.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 1.1 tm-20 -125.51 139.17 53.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.198 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.771 HG11 ' CE1' ' A' ' 51' ' ' HIS . 8.7 t -110.17 128.22 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -136.61 149.58 48.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.389 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.488 ' NH1' ' OD2' ' A' ' 41' ' ' ASP . 58.4 ttt-85 -104.42 133.58 49.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.602 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.3 tp -91.31 127.94 36.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.578 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.488 ' OD2' ' NH1' ' A' ' 39' ' ' ARG . 1.7 t70 -143.38 106.71 4.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.609 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.443 ' C ' ' H ' ' A' ' 44' ' ' THR . 49.2 t30 57.12 43.46 24.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.565 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.15 -25.43 1.9 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.443 ' H ' ' C ' ' A' ' 42' ' ' ASN . 96.3 m -79.71 113.03 17.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 0.0 110.548 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.1 p -79.44 148.79 31.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.546 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.2 t -128.79 99.73 5.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.495 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -68.77 136.69 53.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.571 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.1 mtp -97.16 150.44 20.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.587 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -93.46 -50.08 5.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.635 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.421 ' O ' ' OE1' ' A' ' 50' ' ' GLN . 0.0 OUTLIER -100.14 74.5 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.482 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.771 ' CE1' HG11 ' A' ' 37' ' ' VAL . 24.2 t-80 -172.25 -5.46 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.476 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.415 ' H ' ' H ' ' A' ' 51' ' ' HIS . 0.1 OUTLIER -100.9 170.97 7.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.555 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -175.91 178.52 47.39 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -139.51 148.23 42.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.725 0.298 . . . . 0.0 110.566 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mt -135.87 176.21 8.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.579 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.704 ' C ' ' HB2' ' A' ' 71' ' ' ALA . 0.0 OUTLIER -139.81 152.82 46.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.328 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.551 ' OD1' ' N ' ' A' ' 57' ' ' ASN . 3.1 p-10 -51.09 173.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.612 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.55 ' NE2' ' CE1' ' A' ' 67' ' ' TYR . 2.7 tt0 58.75 160.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.488 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -169.44 -81.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.53 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.6 9.13 2.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.578 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -101.78 32.0 3.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.537 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 pp -76.76 -29.89 56.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.582 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -88.25 -12.17 44.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.613 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.89 4.57 28.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.572 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.54 37.12 62.3 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -128.77 26.93 5.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.857 0.361 . . . . 0.0 110.5 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.55 ' CE1' ' NE2' ' A' ' 58' ' ' GLN . 5.0 t80 -43.99 133.39 5.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.663 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.94 33.29 11.15 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.3 ttt-85 -69.77 105.31 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.863 0.363 . . . . 0.0 110.584 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -44.65 126.95 5.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.623 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.704 ' HB2' ' C ' ' A' ' 56' ' ' HIS . . . -56.1 -15.24 3.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.27 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -48.2 -52.22 21.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.472 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 23.4 mt -63.07 -51.9 64.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.353 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.87 -28.36 22.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.3 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.562 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 54.9 t80 -79.8 -39.4 30.93 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.371 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.1 tp -58.77 -23.8 60.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.058 0.456 . . . . 0.0 110.055 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.1 -15.62 61.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.53 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.6 tt -93.42 -16.37 24.65 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.194 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.562 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -58.03 -42.05 93.1 Favored Pre-proline 0 CA--C 1.532 0.278 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.57 -178.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.562 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 9.5 Cg_exo -68.27 -24.07 38.04 Favored 'Trans proline' 0 C--N 1.308 -1.565 0 C-N-CA 122.519 2.146 . . . . 0.0 111.913 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -8.57 54.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.816 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.502 HD22 ' NE2' ' A' ' 51' ' ' HIS . 29.7 mt -98.29 2.29 48.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.778 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 51.63 12.36 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.662 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.598 HD11 ' CD1' ' A' ' 90' ' ' TYR . 0.9 OUTLIER -47.99 120.73 3.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.522 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.74 162.31 20.08 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.533 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -73.26 -25.91 15.19 Favored 'Trans proline' 0 C--N 1.311 -1.441 0 C-N-CA 122.618 2.212 . . . . 0.0 112.005 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.565 ' HB1' HE22 ' A' ' 88' ' ' GLN . . . -40.47 -71.16 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.792 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.639 ' N ' ' NE2' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -84.01 -175.61 5.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.526 -179.796 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.619 ' H ' HD12 ' A' ' 89' ' ' ILE . 0.2 OUTLIER -121.83 157.28 25.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.251 179.736 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.598 ' CD1' HD11 ' A' ' 84' ' ' LEU . 62.8 m-85 -150.69 135.91 17.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.96 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.58 HH21 ' CZ ' ' A' ' 123' ' ' ARG . 4.7 ttp180 -91.19 109.77 21.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.522 179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 38.1 t -95.63 116.82 38.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.043 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.58 114.25 28.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.343 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 23.9 m0 -100.54 132.26 46.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.799 179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -125.14 103.24 7.88 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.14 144.71 17.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.365 -178.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.647 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 1.6 p -94.58 -27.96 15.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.111 179.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.522 ' CH2' ' O ' ' A' ' 28' ' ' ARG . 17.5 m95 -111.65 147.08 36.29 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.169 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -70.3 157.92 88.79 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.642 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' A' ' 99' ' ' SER . 53.8 Cg_exo -42.32 171.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.314 -1.289 0 C-N-CA 122.462 2.108 . . . . 0.0 112.354 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.8 p -116.01 -44.68 2.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.292 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.524 ' O ' ' N ' ' A' ' 105' ' ' GLY . 3.2 t80 -143.79 114.39 7.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.976 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 54.1 p -42.88 -36.14 1.41 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.795 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -84.98 -19.2 32.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.086 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.45 -62.89 1.6 Allowed Glycine 0 CA--C 1.526 0.754 0 C-N-CA 120.672 -0.775 . . . . 0.0 111.442 -179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.2 m -78.59 -69.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.772 0.32 . . . . 0.0 111.328 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.97 -21.88 59.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.012 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -73.01 -59.6 4.22 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -53.13 -38.86 63.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.785 0.326 . . . . 0.0 110.548 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 74.6 t -69.68 -54.69 18.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.768 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 61.8 ttt-85 -44.94 -59.3 2.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.715 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -49.69 -61.55 2.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.473 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 117' ' ' ASN . 55.8 t80 -45.68 -42.97 12.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.376 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.46 ' C ' ' N ' ' A' ' 116' ' ' GLU . 1.5 mp -63.67 -58.57 6.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.502 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -46.86 -17.71 0.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.268 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.46 ' N ' ' C ' ' A' ' 114' ' ' LEU . 3.4 mt-10 -108.79 -30.18 8.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.099 -179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.633 ' O ' HG22 ' A' ' 120' ' ' VAL . 3.6 m-80 -127.25 49.29 2.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.969 0.414 . . . . 0.0 110.78 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.406 ' C ' ' H ' ' A' ' 120' ' ' VAL . 0.1 OUTLIER -59.61 -1.0 0.2 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.777 179.884 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.475 ' H ' ' C ' ' A' ' 117' ' ' ASN . 7.9 p80 -76.31 13.35 0.95 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.945 0.402 . . . . 0.0 110.308 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.633 HG22 ' O ' ' A' ' 117' ' ' ASN . 15.4 m -131.89 133.51 60.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.689 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -91.51 100.71 13.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.192 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.474 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -86.74 112.6 21.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.64 -179.594 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.58 ' CZ ' HH21 ' A' ' 91' ' ' ARG . 17.8 mtm180 -112.31 120.36 41.46 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.167 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 12.6 mt -106.0 129.58 58.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.031 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -123.05 98.24 5.8 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.062 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -77.08 108.81 10.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.491 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.647 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -78.57 -38.79 39.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.455 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.488 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -138.63 147.53 43.02 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.678 179.878 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.444 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 0.9 OUTLIER -105.16 141.1 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.561 -179.869 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.444 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 4.4 m-85 -168.63 135.17 1.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.566 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -173.41 171.66 3.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.545 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -104.01 -16.97 15.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.588 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.45 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -139.05 162.65 51.18 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.48 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -70.52 17.93 0.23 Allowed 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.573 2.182 . . . . 0.0 112.103 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.45 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.3 mt -61.81 -34.06 75.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.628 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -52.26 -21.26 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.622 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -70.61 -53.83 14.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.522 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -67.21 -21.21 65.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.587 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -68.95 -50.46 49.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.508 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.617 ' CD2' HD21 ' A' ' 190' ' ' LEU . 1.6 mp -61.76 -48.23 81.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.62 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -63.19 -59.73 4.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.513 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -44.53 -31.39 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.583 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 1.1 tp -81.9 -39.18 24.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.569 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -51.63 -33.83 34.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.599 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -73.45 -16.05 61.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.601 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.7 -19.93 51.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.606 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 102.55 -22.5 37.22 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -54.24 164.29 0.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.492 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -101.69 130.12 47.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.524 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.15 110.88 17.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.54 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 34.8 t -149.74 162.06 41.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.54 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.536 HD12 ' N ' ' A' ' 152' ' ' ILE . 1.7 mp -80.01 137.03 22.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.487 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 1.1 tpt -43.53 133.18 4.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.562 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 60.4 p -104.3 151.91 22.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.56 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -45.42 -49.67 13.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.602 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -57.82 -49.99 74.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.483 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.22 -28.66 68.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.588 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.03 -38.89 86.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.531 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 17.1 tttm -65.96 -46.9 76.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.592 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.59 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.39 -52.7 24.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.349 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.59 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 10.7 t -58.19 -23.57 56.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.592 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' TRP . . . . . 0.629 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 3.8 t-105 -71.45 -70.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.822 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . 0.629 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -62.71 -26.47 68.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.126 -179.524 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 91.6 m -70.82 -23.14 62.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.412 -179.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.489 ' O ' ' SD ' ' A' ' 13' ' ' MET . 52.1 m-85 -121.31 18.75 11.45 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.575 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.482 ' C ' ' H ' ' A' ' 168' ' ' HIS . 25.0 t -142.25 137.87 29.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.814 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . 0.481 ' C ' ' N ' ' A' ' 169' ' ' GLN . 2.4 p-10 -71.95 41.33 0.08 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.039 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.701 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.2 OUTLIER -50.93 -11.49 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.07 -179.839 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . 0.481 ' N ' ' C ' ' A' ' 167' ' ' ASP . 29.8 mm-40 44.72 14.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.958 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . 0.701 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 119.29 38.4 0.74 Allowed Glycine 0 CA--C 1.528 0.885 0 N-CA-C 111.626 -0.59 . . . . 0.0 111.626 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.696 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.1 OUTLIER -120.45 109.47 36.59 Favored Pre-proline 0 CA--C 1.538 0.485 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 179.634 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -78.76 132.03 10.57 Favored 'Trans proline' 0 N--CA 1.488 1.155 0 C-N-CA 121.832 1.688 . . . . 0.0 112.143 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.461 ' CD2' ' O ' ' A' ' 173' ' ' PHE . 1.2 t80 -83.94 119.48 24.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.671 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.18 156.56 46.2 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.93 138.15 30.74 Favored 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 122.382 2.055 . . . . 0.0 112.215 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -87.21 -171.54 3.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.333 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.87 94.65 9.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.402 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 138.66 -19.39 3.16 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 2.9 tt -44.88 -39.3 5.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.881 0.372 . . . . 0.0 110.546 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . 0.445 ' CG ' ' N ' ' A' ' 181' ' ' GLU . 0.9 OUTLIER -79.03 -44.07 22.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.537 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . 0.445 ' N ' ' CG ' ' A' ' 180' ' ' ASP . 59.7 mt-10 -54.58 -56.53 18.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.55 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' HIS . . . . . 0.556 ' CD2' HD21 ' A' ' 24' ' ' ASN . 93.0 m-70 -61.55 -52.99 62.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.549 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 58.5 m -48.17 -45.61 33.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.56 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -62.72 -39.86 95.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.565 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -62.36 -58.69 6.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.495 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 38.7 mt -59.81 -53.83 53.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.536 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 64.8 m -50.67 -41.69 55.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.573 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -55.81 -55.27 29.84 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.88 -55.53 9.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.844 0.354 . . . . 0.0 110.575 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.617 HD21 ' CD2' ' A' ' 140' ' ' LEU . 0.1 OUTLIER -56.84 -48.9 76.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.372 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 2.0 mtm-85 -49.54 -26.34 3.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.547 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -83.84 -33.7 24.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.541 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 19.1 mt -70.6 -34.76 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.53 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.532 HD23 ' H ' ' A' ' 198' ' ' GLY . 1.8 mp -69.52 3.56 2.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.55 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 52.4 89.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.584 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 196' ' ' ASN . . . . . 0.423 ' ND2' ' O ' ' A' ' 196' ' ' ASN . 24.7 t30 50.78 52.12 15.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.611 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 62.47 142.15 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.572 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . 0.532 ' H ' HD23 ' A' ' 194' ' ' LEU . . . -84.86 15.96 39.75 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 C--O 1.22 -0.5 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.584 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 ttp . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -167.94 -170.46 1.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.592 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -43.89 155.09 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.586 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 87.5 p -162.98 66.95 1.72 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.619 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -47.31 164.62 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.833 2.355 . . . . 0.0 112.07 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -99.47 50.02 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.588 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.0 p -101.53 -0.74 34.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.627 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.88 61.19 5.88 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -74.54 175.67 10.75 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.772 2.314 . . . . 0.0 112.145 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 -52.89 127.44 23.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.525 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.436 ' CD2' ' O ' ' A' ' 12' ' ' LEU . 19.6 t-160 -95.42 117.38 30.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.591 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.436 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 7.6 mp -102.76 173.47 6.31 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.047 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 50.4 mtm -62.59 146.1 52.78 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.103 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.5 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 2.4 m-20 -65.66 141.71 97.93 Favored Pre-proline 0 CA--C 1.536 0.415 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.599 -179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.408 ' O ' ' OG1' ' A' ' 19' ' ' THR . 85.0 Cg_exo -40.81 -55.46 2.0 Favored 'Trans proline' 0 N--CA 1.49 1.323 0 C-N-CA 122.079 1.853 . . . . 0.0 112.22 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.69 -48.76 80.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.188 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 mm -48.89 -51.5 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.649 -179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.42 ' CZ ' ' CD2' ' A' ' 22' ' ' PHE . 41.7 t80 -59.91 -60.87 3.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.663 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.48 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -45.34 -56.19 5.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.603 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -52.45 -31.25 33.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.636 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.494 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 19.7 m120 -87.16 -10.76 51.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.625 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.42 ' CD2' ' CZ ' ' A' ' 18' ' ' PHE . 45.0 m-85 -133.21 28.62 4.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.475 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.48 ' N ' ' O ' ' A' ' 19' ' ' THR . 26.8 t-20 -90.81 105.94 18.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.515 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.614 HD22 HH12 ' A' ' 128' ' ' ARG . 0.1 OUTLIER -41.26 150.59 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.614 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.661 ' H ' ' NH2' ' A' ' 128' ' ' ARG . . . 73.18 72.83 0.93 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.444 HG23 ' O ' ' A' ' 23' ' ' ASN . 1.1 pt -137.55 175.29 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.601 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -162.25 9.47 0.1 OUTLIER Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.5 ' O ' ' CZ2' ' A' ' 98' ' ' TRP . 0.1 OUTLIER -71.56 153.86 41.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.58 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -95.78 84.89 3.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.499 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -171.35 51.21 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.718 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.522 HG22 ' CG ' ' A' ' 57' ' ' ASN . 5.7 t -46.67 147.6 1.21 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.842 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.494 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -110.93 147.71 34.06 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.608 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.589 HD23 ' N ' ' A' ' 34' ' ' CYS . 3.5 tt -138.44 114.41 10.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.647 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.589 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -106.83 116.26 31.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.268 179.579 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.465 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 12.2 p90 -107.27 134.48 50.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.681 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.409 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 2.0 tm-20 -128.31 143.3 51.0 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.458 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.699 HG21 ' CE1' ' A' ' 51' ' ' HIS . 38.5 t -108.45 135.39 47.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.791 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -141.37 122.12 14.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.488 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -93.2 138.7 31.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.57 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.491 HD12 ' HB ' ' A' ' 89' ' ' ILE . 32.7 mt -86.43 149.02 25.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.543 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.71 96.96 1.8 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.515 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.513 ' N ' ' OD1' ' A' ' 42' ' ' ASN . 0.9 OUTLIER 58.62 52.67 6.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.576 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 69.28 -6.38 4.31 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.437 ' H ' ' C ' ' A' ' 42' ' ' ASN . 0.6 OUTLIER -95.57 110.35 22.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.341 . . . . 0.0 110.595 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.8 p -80.08 116.06 19.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.541 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 84.1 t -100.96 114.38 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.6 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.4 mttp -78.85 141.42 37.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.465 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -100.59 142.69 31.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.743 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.466 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 0.1 OUTLIER -96.11 -50.17 4.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.469 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -92.85 59.01 3.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.408 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.711 ' NE2' HD22 ' A' ' 82' ' ' LEU . 25.3 t-80 -168.37 31.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.427 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.466 ' NH2' ' O ' ' A' ' 49' ' ' ASP . 0.4 OUTLIER -132.42 170.72 14.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.505 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -174.45 -178.82 44.64 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -149.47 138.94 21.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.712 0.291 . . . . 0.0 110.655 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 mp -135.35 162.08 33.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.513 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -131.05 160.64 34.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.45 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.522 ' CG ' HG22 ' A' ' 31' ' ' THR . 4.7 p-10 -78.28 149.71 33.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.624 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -85.96 7.5 24.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.485 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.422 ' O ' ' O ' ' A' ' 60' ' ' LYS . . . 45.84 39.6 5.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.582 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.422 ' O ' ' O ' ' A' ' 59' ' ' ALA . 27.3 mtpt 55.03 164.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.614 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -155.92 85.55 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.501 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -86.11 10.38 14.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.553 179.868 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 62' ' ' LEU . 3.5 mt -57.85 -50.93 71.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.616 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.32 12.08 24.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.603 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.45 34.58 39.78 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -135.83 99.83 4.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.815 0.341 . . . . 0.0 110.476 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.614 ' N ' ' CD1' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -82.39 143.55 31.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.536 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -87.57 -157.57 31.63 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.32 145.56 49.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.843 0.354 . . . . 0.0 110.424 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.704 ' H ' ' CD2' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -48.56 175.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.577 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.03 -29.04 55.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.424 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.492 ' OE2' ' SG ' ' A' ' 106' ' ' CYS . 34.4 mt-10 -68.31 -36.9 80.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.409 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 73' ' ' LEU . 10.8 mp -72.72 -59.42 2.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.479 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.49 -30.67 8.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.382 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -74.12 -45.83 46.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.392 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -20.15 65.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.319 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -76.95 -27.83 54.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.011 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.654 ' C ' HD12 ' A' ' 78' ' ' LEU . 4.1 pp -106.14 7.25 31.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.879 0.371 . . . . 0.0 110.841 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.584 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -64.29 -41.35 59.67 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 179.851 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 28.1 Cg_exo -58.88 -17.88 39.22 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.192 1.928 . . . . 0.0 111.84 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.1 m -56.89 -8.9 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.577 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.711 HD22 ' NE2' ' A' ' 51' ' ' HIS . 20.7 mt -101.19 -43.58 5.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.436 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 67.56 47.63 1.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.716 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 mt -56.16 136.06 52.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.44 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -101.6 157.48 33.59 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.476 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -69.9 -1.09 8.0 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 122.388 2.058 . . . . 0.0 112.096 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.49 ' HB1' ' NE2' ' A' ' 88' ' ' GLN . . . -41.65 -75.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.603 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.55 ' N ' ' NE2' ' A' ' 88' ' ' GLN . 0.3 OUTLIER -111.64 -179.58 3.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.462 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.491 ' HB ' HD12 ' A' ' 40' ' ' LEU . 1.5 mt -89.23 157.52 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.601 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.451 ' HB2' HG22 ' A' ' 120' ' ' VAL . 29.3 m-85 -133.5 161.1 35.5 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.687 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.409 ' HE ' ' HB2' ' A' ' 121' ' ' ARG . 17.4 ttm180 -142.75 103.95 4.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.553 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 15.0 t -89.06 123.11 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.433 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.24 117.04 30.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.745 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.559 ' CD1' HD21 ' A' ' 122' ' ' LEU . 14.9 m0 -100.25 132.48 45.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.008 0.433 . . . . 0.0 110.081 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.581 ' CE2' ' SG ' ' A' ' 161' ' ' CYS . 58.4 m-85 -125.41 102.87 7.61 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.51 129.18 63.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.573 -178.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.64 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 1.4 p -83.79 -27.87 28.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.247 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.5 ' CZ2' ' O ' ' A' ' 28' ' ' ARG . 19.3 m95 -113.05 139.2 48.89 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.361 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -52.85 163.0 0.88 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.635 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.62 167.34 27.39 Favored 'Trans proline' 0 C--N 1.31 -1.49 0 C-N-CA 122.651 2.234 . . . . 0.0 112.234 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.549 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 17.9 p -107.13 -142.29 0.38 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.338 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.549 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -44.2 100.18 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.485 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.894 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 16.7 t -40.85 -25.45 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.508 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.451 ' N ' ' O ' ' A' ' 102' ' ' PHE . 24.7 t90 -86.04 -28.25 24.26 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.752 -0.379 . . . . 0.0 111.598 -179.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -81.47 -61.88 2.03 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . 0.492 ' SG ' ' OE2' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -69.74 -68.98 0.37 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 0.0 110.928 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.894 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -52.31 -53.4 44.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.692 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -42.28 -56.57 3.98 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.634 -0.986 . . . . 0.0 110.634 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -46.82 -48.9 20.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.863 0.363 . . . . 0.0 110.115 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.25 -52.88 54.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.432 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.501 ' NH2' ' OE1' ' A' ' 115' ' ' GLN . 65.8 ttt-85 -42.01 -58.9 1.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.471 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.15 -55.35 8.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.291 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.512 ' O ' ' N ' ' A' ' 117' ' ' ASN . 17.1 t80 -51.96 -47.02 65.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.459 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 117' ' ' ASN . 2.4 mt -59.33 -58.46 8.52 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.492 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.501 ' OE1' ' NH2' ' A' ' 111' ' ' ARG . 21.6 mt-30 -48.97 -20.45 0.52 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.194 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 114' ' ' LEU . 3.1 mt-10 -109.92 -9.04 14.79 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.655 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.512 ' N ' ' O ' ' A' ' 113' ' ' PHE . 70.3 m-80 -134.11 37.44 3.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.753 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.2 p -48.14 -19.33 0.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.43 ' CD2' HG23 ' A' ' 120' ' ' VAL . 0.5 OUTLIER -81.71 17.11 1.55 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.872 0.368 . . . . 0.0 110.657 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.451 HG22 ' HB2' ' A' ' 90' ' ' TYR . 28.4 t -131.32 124.45 55.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.396 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.409 ' HB2' ' HE ' ' A' ' 91' ' ' ARG . 4.7 mmp_? -91.65 120.06 32.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.557 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.559 HD21 ' CD1' ' A' ' 94' ' ' TRP . 0.9 OUTLIER -105.72 133.44 50.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.799 -179.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.419 ' C ' HD12 ' A' ' 124' ' ' ILE . 12.1 mtm180 -124.19 122.59 38.2 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.129 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.466 ' N ' HD12 ' A' ' 124' ' ' ILE . 1.8 mp -105.2 130.83 55.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.78 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -124.93 99.4 6.12 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.472 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -76.96 101.74 6.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.438 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.64 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -73.23 -38.01 66.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.479 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.661 ' NH2' ' H ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -141.76 138.82 32.57 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.906 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -104.22 121.23 55.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.535 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.401 ' CD1' ' CZ3' ' A' ' 98' ' ' TRP . 91.5 t80 -104.66 153.8 20.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.416 179.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -86.97 79.14 8.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.611 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -91.07 -61.06 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.535 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.463 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -159.01 160.22 29.12 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.383 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -69.97 19.51 0.19 Allowed 'Trans proline' 0 C--N 1.31 -1.496 0 C-N-CA 122.525 2.15 . . . . 0.0 112.047 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.463 ' H ' ' C ' ' A' ' 133' ' ' ASP . 2.3 mm? -91.95 -23.96 19.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.499 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -46.13 -32.17 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.541 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.404 ' HE3' HE22 ' A' ' 141' ' ' GLN . 50.3 tttt -66.13 -58.76 4.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.503 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -51.48 -28.8 14.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.43 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -65.5 -56.68 11.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.4 mt -51.12 -32.29 22.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.457 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.404 HE22 ' HE3' ' A' ' 137' ' ' LYS . 21.2 mt-30 -79.7 -43.23 23.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.611 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.496 ' SD ' ' O ' ' A' ' 103' ' ' SER . 0.5 OUTLIER -55.29 -52.13 64.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.63 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 4.8 mt -64.87 -47.65 77.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.549 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 14.7 ttp85 -48.77 -33.6 10.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.566 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -82.84 -23.26 33.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.581 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -76.58 -16.81 59.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.549 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 102.37 -8.61 55.34 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -69.8 156.41 39.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 110.456 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -96.44 135.58 38.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.506 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -132.22 116.68 29.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.623 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.6 m -153.13 162.03 41.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.558 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 10.0 mt -82.09 128.38 38.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.475 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.587 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 2.9 ttm -49.07 123.97 8.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 72.3 p -95.22 176.28 6.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.631 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -61.49 -48.39 81.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.654 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.1 -54.49 42.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.503 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -56.41 -36.61 69.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.496 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.587 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.4 OUTLIER -59.5 -44.72 93.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.563 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 34.7 tttm -58.89 -43.27 90.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.773 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.599 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.25 -56.09 8.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.562 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.599 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 0.0 OUTLIER -58.85 -23.72 61.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.553 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' TRP . . . . . 0.635 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 4.4 t-105 -68.86 -70.11 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.945 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . 0.635 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -63.7 -29.12 70.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.267 -179.372 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 97.6 m -66.63 -25.25 66.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.07 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -121.26 18.96 11.49 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.071 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.525 ' C ' ' H ' ' A' ' 168' ' ' HIS . 71.3 t -135.08 146.29 30.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.806 0.336 . . . . 0.0 111.324 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 167' ' ' ASP . 4.1 p30 -75.16 37.52 0.12 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.742 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -36.17 -57.14 0.73 Allowed 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.162 -179.606 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . 0.631 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 26.0 mt-30 40.75 17.8 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.083 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . 0.742 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 142.85 -0.79 1.43 Allowed Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.621 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 1.2 m -115.01 87.06 14.57 Favored Pre-proline 0 CA--C 1.531 0.231 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . 0.418 ' HA ' ' HE1' ' A' ' 162' ' ' TRP . 59.1 Cg_endo -80.37 160.22 22.8 Favored 'Trans proline' 0 C--N 1.313 -1.332 0 C-N-CA 122.29 1.993 . . . . 0.0 112.797 -178.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.48 ' O ' ' NE2' ' A' ' 174' ' ' GLN . 37.0 t80 -53.51 141.34 25.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.6 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' A' ' 173' ' ' PHE . 0.4 OUTLIER -124.1 86.68 53.93 Favored Pre-proline 0 CA--C 1.535 0.391 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.422 -179.807 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -51.4 131.4 36.34 Favored 'Trans proline' 0 N--CA 1.493 1.467 0 C-N-CA 122.238 1.958 . . . . 0.0 112.083 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 14.7 p90 -101.25 157.97 16.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.59 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -61.82 91.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.585 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 165.58 -33.97 0.24 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.38 -47.55 69.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.756 0.312 . . . . 0.0 110.349 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -53.33 -61.99 1.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.51 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -50.6 -50.18 54.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.557 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -53.27 -48.02 68.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.542 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 6.4 p -48.0 -47.78 33.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.448 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -61.84 -32.67 73.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.524 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -69.13 -59.4 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.582 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.17 -55.06 32.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.533 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 96.4 p -44.61 -51.89 8.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.506 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -53.36 -44.45 65.87 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.856 -0.897 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -49.96 -57.65 7.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.739 0.304 . . . . 0.0 110.598 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.444 ' C ' ' N ' ' A' ' 192' ' ' ALA . 1.0 OUTLIER -61.88 -56.57 17.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.611 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -45.98 -18.82 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.615 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . 0.444 ' N ' ' C ' ' A' ' 190' ' ' LEU . . . -93.18 -55.5 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.809 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . 0.459 ' C ' ' H ' ' A' ' 195' ' ' GLN . 5.7 tt -59.08 -26.6 33.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.581 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 196' ' ' ASN . 2.3 tp -71.32 10.41 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.546 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . 0.459 ' H ' ' C ' ' A' ' 193' ' ' ILE . 2.1 mt-30 64.37 -69.84 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.544 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 196' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 194' ' ' LEU . 17.6 t30 60.67 131.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.56 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -83.63 141.16 31.73 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.592 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -101.58 -71.49 0.92 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 11.6 t30 . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.584 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 mmt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.61 80.55 4.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.519 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.93 149.38 25.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.589 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.3 t -155.12 61.01 2.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.659 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -74.58 167.46 27.06 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.683 2.255 . . . . 0.0 112.159 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 57.02 50.01 12.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.577 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 46.2 p -49.41 133.88 19.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.516 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -160.28 -171.78 26.64 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -48.11 167.92 0.1 OUTLIER 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.798 2.332 . . . . 0.0 112.07 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -153.99 145.39 23.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.627 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -146.5 77.07 1.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.435 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.839 HD22 ' N ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -100.48 173.98 6.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.276 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -80.24 167.13 20.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.267 179.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -71.48 142.31 86.4 Favored Pre-proline 0 CA--C 1.538 0.485 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.813 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -40.78 -44.71 4.78 Favored 'Trans proline' 0 N--CA 1.491 1.366 0 C-N-CA 122.23 1.953 . . . . 0.0 112.383 179.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -69.34 -45.57 69.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.301 -179.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.2 mm -48.83 -37.78 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.939 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -74.97 -61.03 2.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.884 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -53.38 -24.31 11.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.638 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 83.3 p -73.69 -50.69 19.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.547 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.62 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 1.3 t-20 -65.17 -42.95 93.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.523 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -96.2 35.11 1.48 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.61 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.42 ' O ' ' O ' ' A' ' 24' ' ' ASN . 52.2 t30 -72.44 0.67 9.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.624 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.654 HD22 ' NH1' ' A' ' 128' ' ' ARG . 3.1 m120 58.72 118.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.627 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 82.9 99.87 0.51 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.448 ' C ' HD12 ' A' ' 26' ' ' ILE . 1.2 pp -142.42 -174.95 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.841 0.353 . . . . 0.0 110.673 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -161.27 43.55 0.4 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.66 153.56 51.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.728 0.299 . . . . 0.0 110.518 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.673 ' H ' ' CD2' ' A' ' 29' ' ' HIS . 0.0 OUTLIER -90.62 97.23 11.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.609 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.7 tptm -170.6 44.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.403 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.732 HG22 ' CD2' ' A' ' 98' ' ' TRP . 2.6 p -46.92 162.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.046 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.62 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.4 OUTLIER -125.14 143.34 50.98 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.661 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.585 HD23 ' N ' ' A' ' 34' ' ' CYS . 3.4 tt -135.58 114.66 12.25 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.502 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.585 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -106.95 120.02 40.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.322 179.695 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.466 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 42.1 p90 -108.69 138.23 45.35 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.949 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -132.05 129.23 39.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.18 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.738 HG11 ' CE1' ' A' ' 51' ' ' HIS . 18.2 t -96.74 130.11 45.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.953 0.406 . . . . 0.0 111.336 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.427 ' OE1' ' OG1' ' A' ' 93' ' ' THR . 2.3 mt-10 -130.52 125.1 33.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.011 179.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -95.66 138.4 33.38 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.645 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.47 135.5 57.45 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.326 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -148.9 98.72 2.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.533 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 55.36 42.38 30.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.488 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.87 0.13 67.98 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.4 m -109.54 127.26 54.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.811 0.339 . . . . 0.0 110.563 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.411 ' O ' ' OG ' ' A' ' 45' ' ' SER . 4.5 p -89.13 109.37 20.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.504 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 67.7 t -97.56 126.48 50.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.539 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -87.04 137.94 31.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.727 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 44.6 mtm -98.14 151.77 20.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.505 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -84.98 -50.34 7.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.704 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.511 ' H ' ' NE2' ' A' ' 50' ' ' GLN . 0.6 OUTLIER -89.09 66.96 7.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.399 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.738 ' CE1' HG11 ' A' ' 37' ' ' VAL . 3.2 t-80 -172.16 -6.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.437 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.416 ' H ' ' H ' ' A' ' 51' ' ' HIS . 27.6 ptt180 -106.87 170.95 7.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.679 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.466 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . 179.45 -162.5 29.26 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -156.09 161.09 40.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.728 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 mt -141.48 178.51 7.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.466 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.94 139.23 43.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.479 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 59' ' ' ALA . 13.4 t30 -63.21 159.29 18.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.654 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.417 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 25.1 mt-30 44.37 -96.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.613 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 58' ' ' GLN . . . 65.12 134.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.563 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 71.4 tttt -68.8 133.92 48.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.556 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -174.06 95.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.522 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.42 10.35 3.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.476 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.532 ' N ' HD12 ' A' ' 63' ' ' LEU . 9.0 mp -64.2 -32.31 73.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.598 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 21.5 m -103.37 -20.2 14.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.617 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.88 43.56 1.02 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 36.6 t80 60.82 72.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.702 0.287 . . . . 0.0 110.638 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -112.92 119.67 38.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.56 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -93.54 121.92 6.8 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -134.19 144.22 48.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 110.52 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.628 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.1 OUTLIER -65.59 144.48 56.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.49 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.467 ' HB1' ' HB2' ' A' ' 33' ' ' LEU . . . -41.73 -47.08 3.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.554 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.501 ' CD ' ' H ' ' A' ' 72' ' ' GLU . 27.6 mp0 -58.16 -43.28 87.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.71 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 76' ' ' LEU . 8.5 mp -64.2 -59.87 3.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.963 0.411 . . . . 0.0 110.538 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -44.7 -28.47 0.62 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.458 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 28.6 t80 -80.74 -35.89 32.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.65 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 73' ' ' LEU . 1.1 mm? -59.5 -22.27 61.36 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.138 0.494 . . . . 0.0 109.731 179.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.45 -16.03 60.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.204 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.687 HD23 ' OG ' ' A' ' 81' ' ' SER . 1.4 mt -94.12 -4.49 49.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.426 -179.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.532 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -59.74 -43.42 95.16 Favored Pre-proline 0 C--N 1.326 -0.422 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.284 -179.156 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 39.7 Cg_exo -57.02 -22.65 47.99 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.124 1.883 . . . . 0.0 111.848 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.687 ' OG ' HD23 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -79.07 -8.93 59.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.551 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.453 HD12 ' C ' ' A' ' 81' ' ' SER . 7.4 mp -103.32 -40.26 6.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.372 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 61.96 52.57 3.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.956 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 52.2 mt -70.44 101.82 2.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.22 179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.516 ' O ' ' CE1' ' A' ' 119' ' ' HIS . 0.1 OUTLIER -87.57 161.26 45.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.603 -179.726 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -72.24 -20.69 24.32 Favored 'Trans proline' 0 C--N 1.31 -1.487 0 C-N-CA 122.658 2.239 . . . . 0.0 111.955 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.594 ' HB1' HE21 ' A' ' 88' ' ' GLN . . . -40.94 -75.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.499 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.594 HE21 ' HB1' ' A' ' 87' ' ' ALA . 20.1 mm-40 -99.41 175.12 5.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.318 179.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.552 HG23 ' O ' ' A' ' 119' ' ' HIS . 1.1 mt -100.92 155.15 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.907 0.384 . . . . 0.0 110.549 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 89' ' ' ILE . 71.0 m-85 -149.0 130.7 15.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.827 179.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.15 113.34 26.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.222 179.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.554 ' CG1' HD22 ' A' ' 122' ' ' LEU . 1.4 p -95.0 129.88 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.139 0.495 . . . . 0.0 110.146 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.427 ' OG1' ' OE1' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -100.84 119.61 38.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.966 -179.296 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 18.3 m0 -99.95 131.48 45.89 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.589 ' CZ ' ' SG ' ' A' ' 161' ' ' CYS . 52.8 m-85 -124.47 102.91 7.88 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.74 134.19 52.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.748 -178.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.643 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 0.3 OUTLIER -85.59 -22.91 27.81 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.751 178.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.732 ' CD2' HG22 ' A' ' 31' ' ' THR . 20.3 m95 -113.22 148.41 35.54 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.515 ' HB2' HG23 ' A' ' 129' ' ' ILE . 0.3 OUTLIER -67.48 165.81 26.67 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.469 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' A' ' 99' ' ' SER . 75.6 Cg_exo -42.44 170.81 0.01 OUTLIER 'Trans proline' 0 C--N 1.309 -1.528 0 C-N-CA 122.476 2.117 . . . . 0.0 112.186 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.585 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -116.78 -48.43 2.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.116 179.761 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.585 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.3 OUTLIER -157.61 111.87 2.62 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 178.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.482 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 10.0 t -39.65 -38.73 0.65 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.229 -179.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -84.9 -21.71 29.58 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.323 -179.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.38 -63.0 1.59 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 91.8 m -78.57 -69.09 0.58 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.702 0.287 . . . . 0.0 111.045 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -56.36 -30.36 62.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.721 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.96 -60.24 7.52 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.663 -0.975 . . . . 0.0 110.663 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -52.69 -38.26 60.3 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.113 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.8 t -67.6 -46.15 83.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.206 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -51.09 -58.53 5.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.276 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.67 -51.37 21.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.472 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.529 ' O ' ' N ' ' A' ' 117' ' ' ASN . 5.1 t80 -50.19 -61.1 2.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.653 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.2 mt -50.71 -58.36 6.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.556 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -46.73 -22.78 0.33 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.463 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -110.31 -12.2 14.46 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.697 ' O ' HG22 ' A' ' 120' ' ' VAL . 32.0 m120 -139.59 44.77 1.95 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.79 0.329 . . . . 0.0 111.072 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.62 -4.28 0.1 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.992 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.552 ' O ' HG23 ' A' ' 89' ' ' ILE . 5.9 p80 -77.15 14.43 0.9 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.907 0.384 . . . . 0.0 110.797 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.697 HG22 ' O ' ' A' ' 117' ' ' ASN . 21.8 m -140.54 155.26 22.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.56 148.41 25.57 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.429 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.554 HD22 ' CG1' ' A' ' 92' ' ' VAL . 0.2 OUTLIER -125.37 112.29 16.14 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.42 -179.624 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.483 ' N ' HD13 ' A' ' 122' ' ' LEU . 8.2 mtt180 -116.21 118.52 33.02 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.465 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 25.4 mt -106.52 136.22 42.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.252 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -128.64 100.6 5.8 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.572 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -79.05 108.07 12.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.333 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.643 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -81.0 -47.21 13.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.654 ' NH1' HD22 ' A' ' 24' ' ' ASN . 0.0 OUTLIER -130.69 153.39 49.02 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 120.854 -0.339 . . . . 0.0 110.668 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.515 HG23 ' HB2' ' A' ' 99' ' ' SER . 10.9 mt -120.44 109.09 24.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.53 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.427 ' O ' ' O ' ' A' ' 131' ' ' ASP . 32.9 m-85 -152.49 26.95 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.576 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.427 ' O ' ' O ' ' A' ' 130' ' ' TYR . 11.5 t70 -51.58 -173.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.613 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -93.92 -65.8 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.656 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.467 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.2 OUTLIER -98.5 160.2 28.64 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.517 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -70.56 27.73 0.2 Allowed 'Trans proline' 0 C--N 1.31 -1.482 0 C-N-CA 122.569 2.179 . . . . 0.0 112.282 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.467 ' H ' ' C ' ' A' ' 133' ' ' ASP . 0.7 OUTLIER -67.39 -14.82 63.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.576 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.658 ' OH ' HD12 ' A' ' 193' ' ' ILE . 2.2 p90 -54.46 -26.69 32.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.555 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 43.5 tttt -69.2 -62.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.584 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -50.92 -38.64 51.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.512 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.91 -39.71 92.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.571 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.18 -53.21 60.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.522 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -65.66 -50.68 64.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.609 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.477 ' CB ' ' OG ' ' A' ' 103' ' ' SER . 1.0 OUTLIER -50.1 -61.83 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.609 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 146' ' ' ALA . 3.5 tp -50.19 -55.71 14.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.534 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.4 ttp180 -45.84 -33.12 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.645 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.52 -21.38 32.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.565 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -78.09 -19.75 53.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.541 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 87.42 72.07 1.29 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -146.46 173.0 12.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 110.581 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.27 124.19 47.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.548 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.682 ' O ' HG13 ' A' ' 150' ' ' VAL . 12.1 p -132.09 111.71 18.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.47 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 57.1 m -146.28 162.31 38.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.679 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 3.2 mm -84.31 129.93 36.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.491 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -41.22 133.26 2.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.647 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 21.0 p -106.46 174.91 5.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.552 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.439 ' HB2' HD23 ' A' ' 179' ' ' LEU . 2.6 t80 -65.34 -57.3 8.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.586 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.36 -38.25 18.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.404 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -69.32 -42.66 75.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -51.65 -40.4 59.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.762 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -67.93 -56.41 9.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.771 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.419 ' O ' ' OD1' ' A' ' 163' ' ' ASP . 0.1 OUTLIER -53.84 -46.46 71.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.671 -179.872 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.589 ' SG ' ' CZ ' ' A' ' 95' ' ' PHE . 1.3 m -68.7 -44.59 73.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.795 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' TRP . . . . . 0.642 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 3.1 t-105 -43.85 -69.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.801 -179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . 0.642 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.2 OUTLIER -60.72 -54.6 43.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.26 -179.333 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 93.7 m -46.29 -22.38 0.24 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.479 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -121.51 19.63 11.22 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.526 ' C ' ' H ' ' A' ' 168' ' ' HIS . 49.4 t -141.6 152.31 19.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.045 0.45 . . . . 0.0 111.621 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . 0.403 ' N ' ' CG1' ' A' ' 166' ' ' VAL . 8.7 m-20 -74.52 36.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.617 179.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.59 ' CD2' ' H ' ' A' ' 169' ' ' GLN . 9.1 p-80 -38.6 -46.94 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.297 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . 0.59 ' H ' ' CD2' ' A' ' 168' ' ' HIS . 46.7 mt-30 38.25 24.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.327 -0.852 . . . . 0.0 110.612 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . 0.539 ' N ' ' O ' ' A' ' 168' ' ' HIS . . . 129.68 2.9 5.19 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.433 ' N ' ' O ' ' A' ' 168' ' ' HIS . 0.1 OUTLIER -102.69 105.08 42.67 Favored Pre-proline 0 CA--C 1.537 0.443 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -78.97 153.24 25.2 Favored 'Trans proline' 0 N--CA 1.487 1.133 0 C-N-CA 121.684 1.589 . . . . 0.0 112.106 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -51.54 147.06 6.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.526 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -113.17 88.87 13.11 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.794 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -78.67 131.07 10.1 Favored 'Trans proline' 0 C--N 1.315 -1.226 0 C-N-CA 122.088 1.859 . . . . 0.0 112.03 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 8.0 p90 -78.78 -179.51 6.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.385 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -96.26 86.23 4.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.854 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 160.65 38.26 0.02 OUTLIER Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . 0.439 HD23 ' HB2' ' A' ' 155' ' ' TYR . 2.9 mp -76.68 -50.12 14.45 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.869 -0.332 . . . . 0.0 110.905 -179.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 27.3 p-10 -59.7 -23.28 63.01 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.158 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -73.96 -61.99 1.66 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.16 -179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' HIS . . . . . 0.614 ' ND1' ' N ' ' A' ' 183' ' ' SER . 1.5 p80 -69.92 -42.29 73.53 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.919 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . 0.614 ' N ' ' ND1' ' A' ' 182' ' ' HIS . 59.8 p -57.48 -52.31 65.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.561 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -59.2 -35.77 74.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.562 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -53.37 -56.8 13.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.538 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 18.0 mt -67.15 -52.49 40.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.568 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.17 -33.18 18.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.523 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -67.32 -53.8 23.54 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 0.1 OUTLIER -45.66 -52.21 11.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.761 0.315 . . . . 0.0 110.584 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.485 ' O ' ' N ' ' A' ' 192' ' ' ALA . 1.1 mp -61.72 -59.99 4.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.499 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 30.1 ttt85 -45.51 -16.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.639 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 190' ' ' LEU . . . -88.2 -43.43 11.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.759 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . 0.658 HD12 ' OH ' ' A' ' 136' ' ' TYR . 4.3 tt -75.14 -26.57 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.669 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.5 mt -92.53 -36.05 13.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.703 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . 0.505 ' CD ' ' H ' ' A' ' 196' ' ' ASN . 0.0 OUTLIER -109.44 -147.29 0.41 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.062 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 196' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' A' ' 196' ' ' ASN . 1.1 p-10 -165.29 67.06 0.13 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.855 0.36 . . . . 0.0 110.557 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 50.02 -172.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.596 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -138.51 43.64 1.17 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 17.3 m120 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.61 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -81.32 12.97 3.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.554 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.64 96.5 8.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.546 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.566 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -96.01 -43.82 0.26 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.566 ' CD ' ' N ' ' A' ' 4' ' ' SER . 29.2 Cg_exo -58.86 152.63 56.2 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.463 2.109 . . . . 0.0 112.051 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -169.82 -11.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.516 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.11 135.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.518 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.69 -59.71 2.31 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_exo -47.08 132.3 18.02 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.725 2.283 . . . . 0.0 112.1 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.7 mtt-85 -138.75 145.19 39.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.569 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -153.0 64.15 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.463 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.517 ' CD1' ' N ' ' A' ' 12' ' ' LEU . 6.0 mp -94.71 173.03 7.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.022 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 31.2 mtm -64.09 137.24 57.88 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.45 147.12 77.67 Favored Pre-proline 0 C--N 1.327 -0.386 0 C-N-CA 120.737 -0.385 . . . . 0.0 110.44 -179.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.43 ' O ' ' OG1' ' A' ' 19' ' ' THR . 71.7 Cg_exo -39.94 -44.85 3.75 Favored 'Trans proline' 0 N--CA 1.489 1.23 0 C-N-CA 122.244 1.963 . . . . 0.0 112.096 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -72.44 -50.14 28.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.098 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.9 mm -48.69 -40.73 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.592 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 28.5 t80 -66.6 -57.07 7.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.425 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.497 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -51.71 -59.21 4.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.496 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 t -54.1 -26.96 30.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.48 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.523 ' OD1' ' CD1' ' A' ' 32' ' ' TYR . 8.4 t30 -86.43 -9.66 55.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.54 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.521 ' O ' ' NH2' ' A' ' 128' ' ' ARG . 19.1 m-85 -133.43 18.74 3.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.507 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.61 ' H ' HD22 ' A' ' 23' ' ' ASN . 0.2 OUTLIER -66.3 119.25 11.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.504 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -58.8 157.1 10.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.57 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 63.4 92.93 0.02 OUTLIER Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 pt -135.09 -170.23 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.753 0.311 . . . . 0.0 110.583 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -164.61 -23.2 0.02 OUTLIER Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -170.07 120.06 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 110.322 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.518 ' CG ' ' N ' ' A' ' 30' ' ' LYS . 16.7 t60 -157.61 -88.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.565 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.518 ' N ' ' CG ' ' A' ' 29' ' ' HIS . 7.9 mtpt 179.81 121.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.44 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.5 p -58.0 120.92 9.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.777 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.523 ' CD1' ' OD1' ' A' ' 21' ' ' ASN . 1.0 OUTLIER -106.46 141.54 37.6 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.516 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 tt -136.26 123.16 21.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.69 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.18 110.35 20.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.056 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.625 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 11.0 p90 -101.39 142.59 32.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -129.17 160.72 32.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.892 179.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.646 HG21 ' CE1' ' A' ' 51' ' ' HIS . 48.5 t -132.36 127.26 56.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.373 . . . . 0.0 110.851 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -140.13 152.44 46.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.332 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.91 139.45 35.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.61 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.55 122.4 44.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.573 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.32 114.63 3.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.47 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.479 ' C ' ' H ' ' A' ' 44' ' ' THR . 3.2 t-20 58.25 39.66 25.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.493 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.73 -24.97 1.18 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.479 ' H ' ' C ' ' A' ' 42' ' ' ASN . 57.5 m -71.62 120.25 16.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.779 0.323 . . . . 0.0 110.63 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.74 119.84 37.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.577 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.5 t -100.04 99.17 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.571 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.8 tttm -72.22 137.59 46.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.575 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -96.08 149.61 21.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.634 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.02 -50.24 4.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.49 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -98.82 73.07 1.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.346 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.837 ' HE2' HD22 ' A' ' 82' ' ' LEU . 43.5 t-80 -172.1 -1.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.451 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.409 ' H ' ' H ' ' A' ' 51' ' ' HIS . 30.7 ptt180 -103.05 170.94 7.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.41 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -175.01 172.94 45.94 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -141.93 136.9 30.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.812 0.339 . . . . 0.0 110.616 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mp -137.12 177.83 7.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.568 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.503 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 1.3 p80 -138.61 166.0 25.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.326 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -83.54 -168.47 2.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.625 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -118.06 139.48 51.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.554 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -100.95 -93.71 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.508 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.441 ' C ' ' ND2' ' A' ' 61' ' ' ASN . 22.3 tttm -101.66 115.16 29.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.5 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.441 ' ND2' ' C ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -162.83 113.06 1.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.535 -179.853 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 10.2 tp -84.91 -0.11 53.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.455 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.3 mp -48.15 -40.37 23.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.38 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 20.8 m -101.71 -9.43 20.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.39 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.5 39.38 2.24 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 21.6 t80 65.8 70.26 0.44 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.668 0.27 . . . . 0.0 110.768 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -117.46 150.75 38.39 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.531 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -102.24 79.6 0.36 Allowed Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.33 105.45 10.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.358 . . . . 0.0 110.515 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -61.23 157.65 15.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.598 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.89 -50.45 56.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.44 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -42.39 -46.28 4.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.652 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.94 -60.13 3.4 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.463 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -49.37 -24.77 2.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.08 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.625 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 2.2 t80 -84.42 -46.48 11.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.432 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 78' ' ' LEU . 0.2 OUTLIER -43.1 -36.92 1.81 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.432 -179.806 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.02 -16.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.101 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' A' ' 76' ' ' LEU . 2.4 mm? -66.97 -47.52 71.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.323 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 4.0 t -44.42 -58.73 4.7 Favored Pre-proline 0 CA--C 1.536 0.425 0 CA-C-O 119.316 -0.373 . . . . 0.0 111.936 -178.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -35.25 -39.78 0.25 Allowed 'Trans proline' 0 N--CA 1.489 1.232 0 C-N-CA 122.112 1.875 . . . . 0.0 112.502 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 40.7 t -76.34 -50.09 15.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.837 HD22 ' HE2' ' A' ' 51' ' ' HIS . 27.5 mt -65.33 -56.51 12.23 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.368 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 58.78 52.44 6.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.002 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.3 mt -50.37 145.73 6.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.289 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.57 160.14 27.2 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.605 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -70.41 -9.8 26.66 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.617 2.211 . . . . 0.0 112.024 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.61 -80.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.6 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.524 HE21 ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -100.89 164.55 11.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.552 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 89' ' ' ILE . 1.0 OUTLIER -84.92 162.37 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.538 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.644 ' HB2' HG12 ' A' ' 120' ' ' VAL . 34.8 m-85 -139.64 167.26 22.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.493 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -138.55 110.6 7.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.524 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.435 ' HB ' HD22 ' A' ' 122' ' ' LEU . 3.0 t -95.12 123.58 47.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.234 179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -104.64 114.13 28.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 -179.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 23.1 m0 -100.4 133.28 45.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.243 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.59 ' CD1' ' SG ' ' A' ' 161' ' ' CYS . 48.4 m-85 -129.17 103.38 6.93 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.717 -0.846 . . . . 0.0 108.717 179.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.26 146.9 15.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.914 -178.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.663 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 22.2 p -96.89 -28.78 14.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.714 179.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -111.74 143.75 42.15 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.381 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.72 159.6 67.55 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.438 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.5 150.54 46.17 Favored 'Trans proline' 0 N--CA 1.494 1.554 0 C-N-CA 122.597 2.198 . . . . 0.0 112.406 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.647 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 1.8 p -83.58 -150.38 0.1 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.647 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.2 OUTLIER -34.16 104.92 0.03 OUTLIER 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.167 0.508 . . . . 0.0 110.138 179.381 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.893 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 11.5 p -37.54 -23.89 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.194 -179.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.547 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.2 OUTLIER -80.51 -31.89 37.05 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.853 -179.014 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -71.25 -63.81 2.98 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 120.626 -0.797 . . . . 0.0 111.773 -179.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.22 -69.39 0.58 Allowed 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.734 -0.386 . . . . 0.0 111.165 -179.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.893 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -45.61 -43.11 12.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.795 -179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.88 -55.63 28.68 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -50.05 -42.23 49.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.807 0.337 . . . . 0.0 110.799 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 42.7 t -69.65 -52.78 28.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.801 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -41.66 -58.57 1.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.602 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -54.16 -52.99 59.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.58 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -46.14 -39.74 9.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.507 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.471 ' C ' ' N ' ' A' ' 116' ' ' GLU . 1.0 OUTLIER -72.15 -57.1 4.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.437 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -46.87 -15.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.624 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.471 ' N ' ' C ' ' A' ' 114' ' ' LEU . 0.3 OUTLIER -108.68 -45.73 3.79 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.963 -179.841 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.818 ' O ' HG22 ' A' ' 120' ' ' VAL . 6.4 m120 -115.02 49.28 1.06 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.74 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 3.6 t -60.5 -0.22 0.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.82 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.486 ' H ' ' C ' ' A' ' 117' ' ' ASN . 8.9 p80 -79.62 13.62 1.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.846 0.355 . . . . 0.0 110.527 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.818 HG22 ' O ' ' A' ' 117' ' ' ASN . 34.8 m -134.92 145.88 31.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.542 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 10.9 tpp180 -91.51 148.32 22.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.32 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.497 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -131.76 112.4 12.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.501 -179.794 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.497 ' N ' HD13 ' A' ' 122' ' ' LEU . 65.9 mtp180 -115.07 117.74 31.43 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.199 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 5.7 mt -105.77 127.71 60.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.044 -179.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.491 ' CD2' ' CE1' ' A' ' 95' ' ' PHE . 75.2 m-85 -119.9 98.06 5.91 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.528 179.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -78.93 106.2 10.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.332 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.663 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -77.48 -40.84 41.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.556 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.521 ' NH2' ' O ' ' A' ' 22' ' ' PHE . 4.1 tpp180 -136.43 143.05 43.7 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.562 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.518 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 1.1 mt -102.95 118.95 50.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.609 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 13.3 m-85 -162.38 117.64 1.88 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.557 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 29.6 p30 -151.25 -163.53 1.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.437 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -92.28 -63.11 1.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.585 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.482 ' C ' ' H ' ' A' ' 135' ' ' LEU . 1.1 m-20 -108.5 157.74 35.75 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.318 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -69.87 29.32 0.18 Allowed 'Trans proline' 0 N--CA 1.494 1.555 0 C-N-CA 122.395 2.063 . . . . 0.0 112.152 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.482 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.9 mt -66.49 -14.68 62.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.778 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 136' ' ' TYR . 2.2 p90 -48.76 -30.05 5.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.6 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 14.2 ttpp -62.45 -58.3 8.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.486 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -49.36 -36.29 21.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.499 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.29 -51.76 67.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.549 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -50.76 -40.11 54.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.456 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -60.15 -60.47 3.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.66 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -53.25 -52.48 58.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.601 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.536 HD12 ' HB3' ' A' ' 148' ' ' ALA . 0.8 OUTLIER -42.23 -58.13 2.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.394 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.7 ttm105 -52.33 -36.53 53.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.539 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.51 -11.77 61.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.569 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -93.08 -23.88 18.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.531 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 87.5 31.79 15.23 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.536 ' HB3' HD12 ' A' ' 143' ' ' LEU . . . -101.04 175.92 5.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.542 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -104.22 128.14 51.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.547 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 3.2 m -132.2 114.59 24.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.518 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 7.3 m -152.22 162.02 41.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.619 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 2.3 mt -84.48 130.03 36.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.507 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.586 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 8.6 ttt -45.88 123.57 4.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.535 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 12.6 p -102.26 176.28 5.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.69 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.414 ' HB2' HD13 ' A' ' 179' ' ' LEU . 5.9 t80 -59.16 -58.18 9.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.586 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.89 -57.56 2.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.5 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.448 ' OE2' ' CE1' ' A' ' 125' ' ' PHE . 22.2 mt-10 -51.23 -56.61 12.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.713 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.586 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 1.1 m-85 -41.55 -43.5 2.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.69 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . 0.431 ' O ' ' OD2' ' A' ' 163' ' ' ASP . 9.1 ttpp -59.98 -46.23 90.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.582 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.618 ' CD2' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -68.88 -57.53 5.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.525 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.618 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 1.5 m -55.26 -23.96 25.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.859 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' TRP . . . . . 0.628 ' CE3' HG21 ' A' ' 166' ' ' VAL . 4.5 t-105 -70.41 -70.02 0.32 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.719 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . 0.621 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.5 OUTLIER -60.91 -14.41 22.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.262 -179.612 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 41.2 m -86.81 -28.3 23.02 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.928 -0.309 . . . . 0.0 111.368 -179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -119.56 16.83 12.89 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.304 -179.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.628 HG21 ' CE3' ' A' ' 162' ' ' TRP . 96.8 t -130.89 142.67 43.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.807 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . 0.493 ' C ' ' H ' ' A' ' 169' ' ' GLN . 7.6 p-10 -79.16 36.98 0.3 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 179.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.629 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -49.92 -10.61 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.579 -179.722 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . 0.493 ' H ' ' C ' ' A' ' 167' ' ' ASP . 7.9 mm-40 52.73 7.97 0.08 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.444 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . 0.629 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 121.35 32.1 1.09 Allowed Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.602 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.0 OUTLIER -111.31 148.87 39.66 Favored Pre-proline 0 CA--C 1.536 0.421 0 CA-C-N 116.703 0.251 . . . . 0.0 110.365 179.714 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -77.35 172.44 15.96 Favored 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 122.363 2.042 . . . . 0.0 112.551 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 30.0 t80 -84.87 150.52 24.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.431 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -108.91 96.01 19.04 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.689 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -80.41 148.98 18.85 Favored 'Trans proline' 0 N--CA 1.488 1.197 0 C-N-CA 122.101 1.867 . . . . 0.0 112.204 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 16.1 p90 -82.08 155.1 25.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.56 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -75.43 101.69 4.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.6 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 143.11 -8.76 2.2 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . 0.577 ' O ' HD23 ' A' ' 179' ' ' LEU . 1.1 tt -41.77 -45.15 3.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.778 0.323 . . . . 0.0 110.542 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.58 -60.75 2.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.563 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 184' ' ' GLN . 67.1 mt-10 -56.76 -61.41 2.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.62 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -42.34 -49.45 5.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.53 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 9.5 t -56.33 -37.62 70.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.575 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 181' ' ' GLU . 0.0 OUTLIER -64.03 -32.19 73.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.61 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -73.97 -57.71 3.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.619 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . 0.527 HD22 ' N ' ' A' ' 186' ' ' LEU . 4.0 mm? -61.46 -52.22 65.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.393 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 30.7 t -51.27 -46.91 62.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.313 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -56.81 -35.34 67.57 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -59.78 -53.13 61.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.809 0.338 . . . . 0.0 110.396 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.0 tp -72.09 -22.93 61.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.652 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -76.35 -23.76 54.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.516 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -82.1 -48.04 11.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.611 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 2.5 tt -68.55 -28.04 38.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.683 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' A' ' 196' ' ' ASN . 1.9 tp -92.86 -14.59 27.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.608 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.37 -81.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.689 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 196' ' ' ASN . . . . . 0.53 ' N ' ' O ' ' A' ' 194' ' ' LEU . 0.4 OUTLIER -161.54 101.49 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.64 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -44.13 131.94 5.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.572 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -92.66 -67.03 1.1 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.515 -179.885 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.5 mtm . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 65.07 158.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.497 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.94 128.31 35.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.556 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 30.2 t -170.88 61.34 0.36 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.594 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -75.28 -170.12 0.75 Allowed 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.777 2.318 . . . . 0.0 112.285 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -152.06 175.8 12.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.467 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.12 12.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.762 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.94 -179.74 51.95 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -42.85 139.13 3.52 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.733 2.288 . . . . 0.0 112.068 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.5 mtt180 -134.63 -109.76 0.22 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.744 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.833 ' C ' HD23 ' A' ' 12' ' ' LEU . 3.0 m170 69.43 101.19 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.516 0.674 . . . . 0.0 110.896 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.868 HD12 ' O ' ' A' ' 166' ' ' VAL . 0.0 OUTLIER -113.34 175.06 5.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.708 -1.133 . . . . 0.0 109.835 -178.835 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.591 ' SD ' ' CE2' ' A' ' 54' ' ' PHE . 2.7 mpp? -60.48 167.52 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.37 -179.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.44 153.15 50.57 Favored Pre-proline 0 CA--C 1.534 0.346 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.933 -179.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.422 ' O ' ' OG1' ' A' ' 19' ' ' THR . 72.1 Cg_exo -41.07 -56.01 1.87 Allowed 'Trans proline' 0 N--CA 1.49 1.322 0 C-N-CA 122.541 2.161 . . . . 0.0 112.507 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.512 ' CE1' ' OG ' ' A' ' 20' ' ' SER . 33.7 t60 -59.97 -51.62 68.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.975 -179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.2 mm -48.77 -37.49 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.63 -179.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -74.87 -60.83 2.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.785 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.2 OUTLIER -50.31 -60.0 3.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.596 -179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.512 ' OG ' ' CE1' ' A' ' 16' ' ' HIS . 6.7 m -51.9 -43.05 63.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.579 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.654 HD21 ' CB ' ' A' ' 32' ' ' TYR . 11.3 t30 -62.52 -39.91 95.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.685 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -100.08 23.58 9.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.615 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -56.77 101.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.553 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -41.86 150.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.546 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 62.63 99.54 0.01 OUTLIER Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.462 ' CD1' ' HE1' ' A' ' 98' ' ' TRP . 4.4 pt -136.55 -173.14 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.717 0.294 . . . . 0.0 110.62 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -151.27 -43.03 0.02 OUTLIER Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -172.05 127.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.844 0.354 . . . . 0.0 110.437 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -163.55 -72.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.49 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 173.69 90.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.305 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.465 ' CG2' ' ND2' ' A' ' 57' ' ' ASN . 3.5 t -46.66 150.93 0.63 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.949 0.404 . . . . 0.0 111.303 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.654 ' CB ' HD21 ' A' ' 21' ' ' ASN . 0.2 OUTLIER -114.79 147.34 39.92 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.472 179.808 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.9 tp -135.4 107.57 7.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.161 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.37 115.71 31.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.348 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.518 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 34.9 p90 -106.36 137.04 45.04 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -123.92 129.42 50.94 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.22 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.747 HG11 ' CE1' ' A' ' 51' ' ' HIS . 11.5 t -100.07 126.01 53.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.965 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -127.11 154.21 45.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.279 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -121.45 142.0 50.46 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.528 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.55 HD22 ' N ' ' A' ' 40' ' ' LEU . 3.8 mm? -78.89 143.71 35.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.549 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.85 101.1 2.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.486 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.7 t30 57.62 30.13 18.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.403 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.69 0.48 81.66 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -102.54 121.52 42.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.78 0.324 . . . . 0.0 110.623 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.426 ' O ' ' OG ' ' A' ' 45' ' ' SER . 1.2 p -89.3 110.69 21.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.55 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.4 p -101.83 134.07 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.586 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -94.75 140.71 29.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.622 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.5 mtm -103.14 143.44 32.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.45 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -84.38 -50.62 7.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.758 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.82 66.07 9.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.011 0.434 . . . . 0.0 110.234 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.747 ' CE1' HG11 ' A' ' 37' ' ' VAL . 17.8 t-80 -173.15 -8.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.405 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.7 ptt85 -100.93 170.79 8.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.502 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.413 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . -176.65 -179.65 47.18 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.591 ' CE2' ' SD ' ' A' ' 13' ' ' MET . 3.8 p90 -146.74 141.93 27.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.751 0.31 . . . . 0.0 110.55 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.7 mt -128.87 174.95 9.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.607 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.469 ' ND1' ' N ' ' A' ' 56' ' ' HIS . 1.4 p-80 -137.15 157.8 45.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.432 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.683 HD21 ' CD2' ' A' ' 70' ' ' HIS . 0.5 OUTLIER -51.51 172.39 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.773 -179.88 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.432 ' O ' ' HB2' ' A' ' 59' ' ' ALA . 1.5 mt-30 56.77 171.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.705 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.537 ' CB ' ' HE ' ' A' ' 74' ' ' ARG . . . 176.7 97.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.541 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 54.49 177.56 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.56 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 61.12 45.59 8.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.549 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.47 ' N ' HD12 ' A' ' 62' ' ' LEU . 9.5 mp -76.88 -40.86 46.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.619 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.1 mp -78.17 -40.71 36.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.566 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 9.0 t -63.03 -15.05 55.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.621 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.0 2.42 46.64 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.02 -26.68 68.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.807 0.337 . . . . 0.0 110.538 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 11.7 p90 -55.21 148.48 14.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.53 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 149.13 49.58 0.02 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -135.94 145.23 46.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.698 0.285 . . . . 0.0 110.59 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.683 ' CD2' HD21 ' A' ' 57' ' ' ASN . 0.5 OUTLIER -75.1 141.99 43.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.538 -179.891 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.574 ' H ' ' ND2' ' A' ' 57' ' ' ASN . . . -52.0 -29.18 19.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.483 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -51.38 -50.83 58.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.646 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.4 mp -62.38 -46.26 89.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.712 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.537 ' HE ' ' CB ' ' A' ' 59' ' ' ALA . 18.4 mmt-85 -59.09 -27.45 65.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.584 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.518 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 29.3 t80 -78.31 -47.47 17.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.532 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 tp -68.27 -19.69 64.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.722 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.13 -25.11 67.55 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.503 -179.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.666 ' C ' HD12 ' A' ' 78' ' ' LEU . 3.4 pp -114.25 3.41 15.11 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.618 0.247 . . . . 0.0 111.16 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.445 ' N ' HD12 ' A' ' 78' ' ' LEU . 1.4 t -56.57 -47.94 98.05 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.357 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 38.0 Cg_endo -72.82 -17.04 26.0 Favored 'Trans proline' 0 N--CA 1.489 1.24 0 C-N-CA 121.434 1.423 . . . . 0.0 111.884 -179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.9 -14.72 60.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.402 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.505 HD22 ' NE2' ' A' ' 51' ' ' HIS . 12.6 mt -78.83 -20.88 48.6 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.442 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.425 ' CB ' ' O ' ' A' ' 82' ' ' LEU . 3.7 tt0 77.55 36.04 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.0 mt -67.06 153.16 44.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.437 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.22 161.6 60.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.55 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -71.39 -12.93 30.24 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.533 2.155 . . . . 0.0 112.302 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.27 -79.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.518 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.578 HE21 ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -94.0 158.99 15.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.305 179.725 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 90' ' ' TYR . 3.4 mm -89.75 156.89 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.559 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.486 ' N ' HG22 ' A' ' 89' ' ' ILE . 78.2 m-85 -139.07 152.05 47.23 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.772 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -117.97 102.82 9.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.205 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 41.0 t -94.86 119.34 42.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.521 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.3 m -106.13 121.44 44.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.636 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.453 ' CD2' HD11 ' A' ' 122' ' ' LEU . 32.8 m0 -100.32 132.69 45.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.03 179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -119.03 102.69 8.93 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.426 HD11 HG23 ' A' ' 124' ' ' ILE . 0.0 OUTLIER -110.8 140.1 31.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.81 -178.053 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.619 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 9.0 p -90.88 -27.4 18.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.926 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.462 ' HE1' ' CD1' ' A' ' 26' ' ' ILE . 8.5 m95 -111.59 153.54 26.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.35 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.84 162.41 74.24 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.258 179.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -68.83 162.99 39.09 Favored 'Trans proline' 0 C--N 1.308 -1.588 0 C-N-CA 122.548 2.165 . . . . 0.0 112.258 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.45 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 6.4 p -106.31 -106.98 0.31 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.41 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.51 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -74.09 107.03 6.04 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.366 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 108' ' ' GLY . 13.9 m -43.88 -25.05 0.17 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.885 -179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -84.64 -22.92 29.73 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.358 -179.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.55 -62.74 1.6 Allowed Glycine 0 CA--C 1.528 0.877 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 9.9 m -78.36 -69.8 0.53 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.648 0.261 . . . . 0.0 111.47 -179.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.32 -30.82 69.75 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.52 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -64.33 -45.79 92.45 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 179.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -66.66 -22.29 66.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.864 0.364 . . . . 0.0 110.106 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.407 HG13 ' HG ' ' A' ' 122' ' ' LEU . 59.8 t -83.19 -63.33 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.025 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.41 ' HE ' ' HA2' ' A' ' 108' ' ' GLY . 0.2 OUTLIER -52.8 -29.96 30.52 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.39 -179.727 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -72.21 -58.73 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.981 0.42 . . . . 0.0 110.07 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.401 ' CZ ' HG11 ' A' ' 79' ' ' VAL . 16.5 t80 -45.92 -24.0 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.969 179.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.433 ' C ' ' N ' ' A' ' 116' ' ' GLU . 5.0 mp -76.77 -57.03 4.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.183 179.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -46.94 -19.99 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.068 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.433 ' N ' ' C ' ' A' ' 114' ' ' LEU . 2.8 mt-10 -104.72 -45.9 4.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.035 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.664 ' O ' HG22 ' A' ' 120' ' ' VAL . 7.9 m120 -120.76 55.13 1.04 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.761 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.87 1.16 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.805 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.48 ' CE1' ' CG1' ' A' ' 120' ' ' VAL . 8.2 p80 -80.3 11.14 3.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.613 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 117' ' ' ASN . 17.2 m -131.9 143.08 41.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.562 179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -92.61 148.65 21.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.258 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.453 HD11 ' CD2' ' A' ' 94' ' ' TRP . 0.1 OUTLIER -132.53 112.53 12.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.637 -179.81 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 30.6 mtm180 -110.58 125.43 53.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.081 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.426 HG23 HD11 ' A' ' 96' ' ' ILE . 35.2 mm -105.29 117.43 50.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.147 -179.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.519 ' CD1' ' OE1' ' A' ' 157' ' ' GLU . 70.5 m-85 -116.78 98.02 6.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.122 179.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -83.18 107.48 15.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.492 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.619 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -76.29 -39.37 54.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.405 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -139.89 146.77 39.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.351 179.759 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.518 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 0.9 OUTLIER -104.03 130.44 54.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.907 0.384 . . . . 0.0 110.695 -179.723 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 4.6 m-85 -172.13 122.09 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.461 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -149.96 -173.93 4.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.561 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -106.53 -19.55 13.64 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.587 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.11 162.34 48.53 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.464 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.502 ' O ' ' N ' ' A' ' 136' ' ' TYR . 41.0 Cg_endo -70.02 -7.12 20.36 Favored 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.625 2.217 . . . . 0.0 112.204 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.2 mt -42.97 -19.87 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.647 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.525 ' CD1' ' N ' ' A' ' 137' ' ' LYS . 0.0 OUTLIER -54.16 -38.97 66.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.615 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.525 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 30.9 tttp -58.85 -57.73 11.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.436 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -48.34 -32.63 7.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.366 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 136' ' ' TYR . . . -62.52 -52.09 64.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.391 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.5 mp -51.77 -36.7 48.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.403 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.491 ' OE1' ' NH1' ' A' ' 144' ' ' ARG . 49.1 mm-40 -78.59 -36.14 44.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.535 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.482 ' SD ' ' O ' ' A' ' 103' ' ' SER . 0.7 OUTLIER -70.68 -22.69 62.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.573 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 9.2 mt -81.3 -60.81 2.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.767 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.491 ' NH1' ' OE1' ' A' ' 141' ' ' GLN . 0.7 OUTLIER -56.06 -28.06 55.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.693 -179.879 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.78 -37.18 81.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.612 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -78.76 -19.43 52.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.62 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 104.04 13.12 27.96 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -78.49 155.15 29.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.759 0.314 . . . . 0.0 110.611 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -87.45 131.08 34.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.538 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 21.8 t -131.39 116.61 32.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.605 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -153.38 159.75 42.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.57 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 152' ' ' ILE . 1.9 tp -90.38 132.57 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.475 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.542 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 6.4 ttt -49.1 121.24 4.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.52 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 81.3 p -99.98 172.65 7.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.59 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -58.21 -43.1 87.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.639 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.04 -47.23 81.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.481 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.519 ' OE1' ' CD1' ' A' ' 125' ' ' PHE . 35.8 mt-10 -63.15 -31.19 72.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.727 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.542 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 1.4 m-85 -65.58 -47.32 76.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.543 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 46.3 tttp -55.59 -49.77 71.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.575 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.593 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -68.45 -57.39 5.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.611 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.593 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 12.3 t -53.76 -23.69 12.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.934 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' TRP . . . . . 0.622 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.2 t-105 -72.9 -69.16 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.042 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . 0.622 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -63.68 -14.28 50.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.103 -179.466 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 96.9 m -85.68 -24.11 27.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.311 -179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -121.05 10.83 10.84 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.264 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.868 ' O ' HD12 ' A' ' 12' ' ' LEU . 89.9 t -129.32 132.61 66.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.98 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -69.63 37.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.946 0.403 . . . . 0.0 110.42 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.549 ' H ' ' C ' ' A' ' 166' ' ' VAL . 5.7 p-80 -44.24 -45.63 8.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.109 179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . 0.481 ' N ' ' CG ' ' A' ' 168' ' ' HIS . 97.1 mt-30 40.51 31.7 0.12 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 132.71 14.78 1.46 Allowed Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.52 -0.632 . . . . 0.0 111.52 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.457 ' H ' ' HB2' ' A' ' 168' ' ' HIS . 4.6 m -123.78 80.9 55.69 Favored Pre-proline 0 CA--C 1.53 0.175 0 CA-C-O 120.739 0.304 . . . . 0.0 110.46 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -51.32 162.63 1.27 Allowed 'Trans proline' 0 C--N 1.31 -1.461 0 C-N-CA 122.551 2.167 . . . . 0.0 112.25 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -57.4 150.33 18.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.597 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -113.62 85.08 8.76 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.647 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -78.27 131.22 10.59 Favored 'Trans proline' 0 N--CA 1.488 1.202 0 C-N-CA 122.084 1.856 . . . . 0.0 112.091 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' TRP . . . . . 0.545 ' NE1' ' CD1' ' A' ' 179' ' ' LEU . 15.1 p90 -98.64 159.0 15.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.529 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.68 109.5 2.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.546 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 145.03 -18.18 1.95 Allowed Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . 0.545 ' CD1' ' NE1' ' A' ' 176' ' ' TRP . 1.8 mp -52.27 -38.12 57.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.783 0.325 . . . . 0.0 110.535 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.09 -46.65 80.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.634 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -64.65 -45.95 84.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.592 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 76.1 m-70 -61.09 -61.04 2.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.608 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 60.0 p -44.81 -37.56 3.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.652 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -61.23 -59.51 5.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.549 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -45.82 -53.11 10.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.549 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 8.6 mt -60.01 -58.89 6.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.516 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 1.6 m -44.57 -44.02 8.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.58 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -55.68 -49.81 63.79 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -50.52 -49.92 54.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.754 0.311 . . . . 0.0 110.541 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.23 -46.66 89.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.583 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 2.6 ttm105 -61.12 -33.01 72.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.66 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -66.84 -37.18 83.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.596 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . 0.446 HD11 ' OH ' ' A' ' 136' ' ' TYR . 3.5 mm -66.57 -61.32 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.596 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.426 ' C ' ' H ' ' A' ' 196' ' ' ASN . 8.0 mp -56.81 -13.32 2.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.635 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 66.98 -3.67 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.644 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 196' ' ' ASN . . . . . 0.426 ' H ' ' C ' ' A' ' 194' ' ' LEU . 0.1 OUTLIER 73.23 -53.63 0.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.65 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -135.11 115.73 13.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.53 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 169.71 -50.7 0.21 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 199' ' ' ASN . . . . . 0.474 ' O ' ' NH2' ' A' ' 144' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.957 -1.02 . . . . 0.0 110.624 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mtt . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 54.22 40.38 31.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.589 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.99 -49.15 25.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.593 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.4 t -177.07 68.43 0.22 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.576 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -49.05 115.9 1.94 Allowed 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.791 2.327 . . . . 0.0 112.167 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -170.51 89.35 0.15 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.629 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.1 m -103.35 -53.16 2.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.576 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.438 ' H ' ' HD3' ' A' ' 9' ' ' PRO . . . 104.1 71.43 0.85 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.438 ' HD3' ' H ' ' A' ' 8' ' ' GLY . 51.0 Cg_exo -50.78 109.13 0.27 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.777 2.318 . . . . 0.0 112.199 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.53 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 0.0 OUTLIER -135.61 90.04 2.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.391 179.876 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.509 ' O ' ' NH2' ' A' ' 52' ' ' ARG . 12.5 t-160 48.4 91.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.579 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.842 HD22 ' N ' ' A' ' 12' ' ' LEU . 1.0 OUTLIER -108.76 173.47 6.3 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.136 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -73.92 164.48 26.58 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -76.56 143.96 72.94 Favored Pre-proline 0 CA--C 1.534 0.365 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.418 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -39.96 -55.51 1.72 Allowed 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.205 1.937 . . . . 0.0 112.237 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -49.42 77.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.041 -179.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 mm -48.84 -56.49 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.818 0.342 . . . . 0.0 110.659 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.408 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 32.3 t80 -49.59 -60.13 3.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.706 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.52 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -57.06 -27.09 61.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.795 -179.83 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -57.58 -61.49 2.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.597 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.614 ' ND2' ' CD2' ' A' ' 22' ' ' PHE . 3.3 p-10 -70.75 -23.49 62.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.61 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.614 ' CD2' ' ND2' ' A' ' 21' ' ' ASN . 18.3 m-85 -100.44 13.19 35.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.541 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 19' ' ' THR . 44.7 t-20 -61.49 101.02 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.626 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -43.25 115.47 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.603 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.63 52.75 0.79 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.426 ' C ' HD12 ' A' ' 26' ' ' ILE . 1.1 pp -97.35 -175.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.707 0.289 . . . . 0.0 110.496 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.454 ' H ' ' NE ' ' A' ' 28' ' ' ARG . . . 167.43 53.76 0.03 OUTLIER Glycine 0 CA--C 1.526 0.733 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.735 ' HE ' ' H ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -158.33 140.41 14.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.859 0.362 . . . . 0.0 110.644 179.758 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -49.93 98.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.761 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -178.61 22.53 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.077 0.465 . . . . 0.0 110.406 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.668 HG22 ' CD2' ' A' ' 98' ' ' TRP . 1.0 OUTLIER -46.63 162.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.784 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -125.93 149.3 48.84 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.686 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.716 ' C ' HD13 ' A' ' 33' ' ' LEU . 2.6 tm? -140.34 122.97 16.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.122 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.35 121.08 40.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.828 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.547 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 17.5 p90 -112.92 134.52 54.39 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.038 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -122.15 158.14 30.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.093 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.676 HG21 ' CE1' ' A' ' 51' ' ' HIS . 54.9 t -128.7 121.41 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.652 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.461 ' OE2' ' N ' ' A' ' 38' ' ' GLU . 1.5 mp0 -131.34 127.93 38.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.729 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.36 132.32 35.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.404 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 mt -98.52 119.94 38.09 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.548 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -134.63 110.48 9.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.457 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.522 ' ND2' ' N ' ' A' ' 42' ' ' ASN . 0.5 OUTLIER 61.23 37.51 17.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.468 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.6 -1.07 68.02 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -94.15 102.3 14.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.822 0.344 . . . . 0.0 110.523 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.429 ' O ' ' OG ' ' A' ' 45' ' ' SER . 11.9 p -83.13 103.37 12.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.557 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 1.1 m -96.68 119.18 44.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.516 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.6 mttp -76.83 138.13 39.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.488 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.9 mmt -79.46 158.65 27.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.667 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -93.55 -50.27 5.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.564 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -117.17 78.23 1.2 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.487 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.676 ' CE1' HG21 ' A' ' 37' ' ' VAL . 52.9 t-80 -169.93 30.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.687 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.53 ' NH2' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -131.57 170.77 14.28 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.318 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -169.32 -178.56 40.68 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 20.1 p90 -156.39 140.41 16.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.69 0.281 . . . . 0.0 110.402 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 mp -135.52 178.17 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.565 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.54 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.1 OUTLIER -127.15 156.18 42.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.467 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.44 ' N ' ' HB2' ' A' ' 71' ' ' ALA . 1.1 t30 -47.61 176.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.582 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.569 HE22 ' CZ ' ' A' ' 74' ' ' ARG . 3.1 mt-30 -141.32 3.26 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.613 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.97 99.77 0.52 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.524 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.2 ttpp -136.62 -74.42 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.64 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.519 ' O ' ' N ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -178.75 151.08 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.471 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.733 ' C ' HD22 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -46.6 -10.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.453 -179.609 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.519 ' N ' ' O ' ' A' ' 61' ' ' ASN . 1.3 tp -59.71 -36.31 76.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.864 0.364 . . . . 0.0 110.431 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 6.3 p -92.66 14.36 17.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.58 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.2 8.35 61.76 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -136.94 109.62 7.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.34 . . . . 0.0 110.501 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.417 ' O ' ' O ' ' A' ' 68' ' ' GLY . 31.4 t80 -100.02 123.63 44.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.678 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.417 ' O ' ' O ' ' A' ' 67' ' ' TYR . . . 44.08 96.75 0.01 OUTLIER Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -138.25 145.51 41.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 110.529 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -92.74 139.12 30.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.645 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.44 ' HB2' ' N ' ' A' ' 57' ' ' ASN . . . -55.22 -34.56 64.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.234 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -60.04 -49.09 79.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.479 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.403 HD11 ' HG3' ' A' ' 109' ' ' GLU . 5.9 mp -49.59 -50.43 42.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.591 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.569 ' CZ ' HE22 ' A' ' 58' ' ' GLN . 2.0 mmt180 -53.25 -43.56 67.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.512 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.547 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 10.3 t80 -65.49 -49.53 68.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.624 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.2 tp -64.05 -19.99 65.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.767 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.95 -32.47 59.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.025 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.654 ' C ' HD12 ' A' ' 78' ' ' LEU . 3.9 pp -101.44 8.04 42.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.759 0.314 . . . . 0.0 110.811 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.575 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -63.32 -41.64 69.59 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.008 -179.845 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 39.6 Cg_exo -57.66 -17.44 28.77 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.087 1.858 . . . . 0.0 111.932 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.42 -9.08 58.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.619 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.9 mt -89.75 -2.86 58.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.54 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 41.5 45.02 2.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.725 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.3 mt -41.46 155.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.628 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.415 ' C ' ' H ' ' A' ' 87' ' ' ALA . 2.4 m-20 -117.17 84.96 17.91 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.457 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -51.3 -9.38 0.29 Allowed 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.464 2.11 . . . . 0.0 112.189 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.415 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -49.21 -35.46 17.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.375 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -125.04 -167.64 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.217 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.681 ' H ' HD12 ' A' ' 89' ' ' ILE . 0.2 OUTLIER -104.73 155.1 6.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.167 0.508 . . . . 0.0 110.5 179.779 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -140.47 179.32 6.74 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.79 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -143.98 109.65 5.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.498 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -92.44 106.07 17.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.011 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.36 115.69 26.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.655 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.449 ' CH2' HG22 ' A' ' 110' ' ' VAL . 13.7 m0 -100.19 132.19 45.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.21 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -124.91 102.65 7.64 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -108.05 131.25 58.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.651 -178.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.642 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 7.0 p -81.87 -26.04 34.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.767 178.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.668 ' CD2' HG22 ' A' ' 31' ' ' THR . 11.4 m95 -111.13 153.51 25.62 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.062 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.09 129.87 77.04 Favored Pre-proline 0 CA--C 1.538 0.513 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.323 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -42.35 153.84 0.13 Allowed 'Trans proline' 0 N--CA 1.492 1.41 0 C-N-CA 121.899 1.733 . . . . 0.0 112.426 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.646 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 2.7 p -96.66 -147.89 0.3 Allowed 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.646 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.2 OUTLIER -33.38 106.01 0.04 OUTLIER 'General case' 0 CA--C 1.518 -0.268 0 CA-C-O 121.263 0.554 . . . . 0.0 110.215 179.545 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.899 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 47.9 m -37.48 -23.86 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.237 -179.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.545 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.1 OUTLIER -82.64 -30.94 29.04 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -178.826 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -71.9 -63.77 2.9 Favored Glycine 0 CA--C 1.528 0.873 0 C-N-CA 120.532 -0.842 . . . . 0.0 111.786 -179.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.31 -69.25 0.59 Allowed 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.751 -0.379 . . . . 0.0 111.071 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.899 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -45.88 -41.57 11.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.816 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.19 -60.01 9.05 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.403 ' HG3' HD11 ' A' ' 73' ' ' LEU . 36.4 mm-40 -50.91 -39.56 54.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.943 0.402 . . . . 0.0 110.25 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.449 HG22 ' CH2' ' A' ' 94' ' ' TRP . 38.7 t -66.71 -48.19 80.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.36 179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 55.1 ttt85 -49.71 -52.63 29.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.359 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -51.08 -57.84 7.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.486 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -53.17 -34.82 58.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.63 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -69.83 -58.59 3.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.457 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -54.22 -14.18 1.07 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.598 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -100.25 -50.29 4.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.644 ' O ' HG22 ' A' ' 120' ' ' VAL . 85.7 m-20 -111.51 43.47 1.51 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.467 ' C ' ' H ' ' A' ' 120' ' ' VAL . 0.0 OUTLIER -49.86 -10.45 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.744 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.529 ' O ' ' ND1' ' A' ' 119' ' ' HIS . 12.0 p80 -76.11 19.66 0.22 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.902 0.382 . . . . 0.0 110.381 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.644 HG22 ' O ' ' A' ' 117' ' ' ASN . 4.9 m -135.75 144.72 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.464 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -91.59 123.32 34.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.447 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.523 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -102.93 115.04 29.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.571 -179.649 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.523 ' N ' HD13 ' A' ' 122' ' ' LEU . 12.1 mtp180 -117.79 118.36 31.84 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.293 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.64 HD12 HD21 ' A' ' 143' ' ' LEU . 18.6 mt -106.2 131.19 56.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.002 -179.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.522 ' CE1' ' OE2' ' A' ' 157' ' ' GLU . 81.5 m-85 -127.03 104.78 8.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.611 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -84.17 107.72 16.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.372 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.642 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -77.56 -44.75 27.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.464 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.481 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -132.36 150.09 52.22 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.505 179.79 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.522 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 5.6 mt -112.29 118.73 58.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.694 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.522 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 8.7 m-85 -155.02 117.23 4.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.632 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.427 ' OD2' ' O ' ' A' ' 130' ' ' TYR . 0.3 OUTLIER -178.82 154.83 0.75 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.376 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -97.63 10.18 40.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.568 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.481 ' C ' ' H ' ' A' ' 135' ' ' LEU . 30.6 m-20 -122.79 80.04 49.18 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.552 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.472 ' O ' ' N ' ' A' ' 136' ' ' TYR . 51.8 Cg_exo -49.3 -6.66 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.562 2.175 . . . . 0.0 112.433 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.481 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.9 mt -47.76 -13.73 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.468 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.472 ' N ' ' O ' ' A' ' 134' ' ' PRO . 0.1 OUTLIER -42.37 -26.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.613 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 135' ' ' LEU . 8.9 tttt -62.05 -62.21 1.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.469 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -53.49 -27.73 26.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.32 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.782 ' HB2' ' OG ' ' A' ' 103' ' ' SER . . . -69.66 -42.79 73.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.419 179.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.975 HD11 HD21 ' A' ' 190' ' ' LEU . 0.9 OUTLIER -58.82 -37.09 75.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.316 179.843 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -80.03 -56.69 4.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.557 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 1.9 ttp -54.36 -29.59 48.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.664 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.64 HD21 HD12 ' A' ' 124' ' ' ILE . 53.6 tp -81.9 -42.19 19.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.337 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.4 -30.74 41.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.5 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -76.64 2.72 13.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.572 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -99.57 -22.39 15.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 104.83 -1.18 41.71 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -83.1 134.08 35.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.71 0.291 . . . . 0.0 110.627 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -83.98 140.76 31.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.591 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 59.0 t -131.62 112.71 21.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.558 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.4 t -146.11 162.08 38.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.631 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.656 ' CD1' HD12 ' A' ' 190' ' ' LEU . 1.6 mp -79.78 133.81 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.498 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.583 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 6.4 ttm -50.36 102.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.52 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 26.2 p -73.72 160.68 31.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.538 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.497 ' CD1' ' O ' ' A' ' 155' ' ' TYR . 1.4 t80 -51.33 -36.93 45.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.578 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.22 -56.21 16.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.503 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.522 ' OE2' ' CE1' ' A' ' 125' ' ' PHE . 2.1 mm-40 -57.15 -26.59 60.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.689 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.583 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 0.5 OUTLIER -64.58 -54.16 36.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.504 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -54.93 -42.62 72.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.687 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.579 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -66.7 -56.61 9.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.687 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.579 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 3.1 t -57.32 -23.72 50.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.64 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' TRP . . . . . 0.619 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.1 t-105 -73.26 -69.23 0.44 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.832 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . 0.619 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 2.8 t70 -63.04 -14.24 45.63 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.419 -179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 60.6 m -84.86 -26.72 27.2 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.167 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -121.74 18.84 11.1 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.706 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.531 ' C ' ' H ' ' A' ' 168' ' ' HIS . 73.0 t -133.77 154.1 37.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-O 121.168 0.509 . . . . 0.0 111.549 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . 0.457 ' N ' HG12 ' A' ' 166' ' ' VAL . 0.4 OUTLIER -75.25 30.97 0.1 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.727 179.594 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.712 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -38.82 -53.71 1.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.13 179.929 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . 0.615 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 4.5 mm-40 42.53 14.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.668 179.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . 0.712 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 141.7 8.4 0.69 Allowed Glycine 0 CA--C 1.529 0.944 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.772 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.622 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 1.7 m -117.5 84.29 18.47 Favored Pre-proline 0 CA--C 1.532 0.256 0 CA-C-N 116.713 0.256 . . . . 0.0 110.321 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -52.0 165.57 0.83 Allowed 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.486 2.124 . . . . 0.0 112.377 -179.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -65.12 141.49 58.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.309 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -115.57 85.1 13.17 Favored Pre-proline 0 CA--C 1.53 0.211 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.966 -179.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -50.11 154.88 5.02 Favored 'Trans proline' 0 N--CA 1.493 1.442 0 C-N-CA 122.189 1.926 . . . . 0.0 111.924 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' TRP . . . . . 0.42 ' O ' ' N ' ' A' ' 178' ' ' GLY . 1.0 OUTLIER -102.07 131.51 48.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.637 179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -43.64 96.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.501 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 176' ' ' TRP . . . 140.68 -18.58 2.79 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -42.31 -50.09 5.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.757 0.313 . . . . 0.0 110.528 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 180' ' ' ASP . 3.1 m-20 -47.93 -52.24 20.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.534 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -61.35 -57.9 10.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.525 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -47.29 -38.92 13.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.408 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . 0.428 ' O ' ' OG ' ' A' ' 187' ' ' SER . 0.4 OUTLIER -61.92 -43.93 97.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.53 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -61.22 -35.2 76.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.616 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -60.65 -65.17 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.587 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 27.2 mt -64.35 -59.65 4.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.594 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 183' ' ' SER . 55.9 p -45.85 -40.51 9.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.375 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -67.04 -35.07 88.63 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.807 -0.917 . . . . 0.0 110.807 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -48.74 77.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.749 0.309 . . . . 0.0 110.414 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.975 HD21 HD11 ' A' ' 140' ' ' LEU . 0.5 OUTLIER -65.31 -46.28 80.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.546 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -60.56 -16.3 36.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.545 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -96.36 -52.91 3.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.6 tp -54.72 -27.49 18.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.699 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.407 ' O ' ' O ' ' A' ' 195' ' ' GLN . 1.4 mt -96.8 7.26 47.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.62 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . 0.407 ' O ' ' O ' ' A' ' 194' ' ' LEU . 9.8 mp0 54.05 105.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.54 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 14.3 p30 -72.21 166.74 21.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.571 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -149.36 103.4 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.502 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 74.63 21.3 78.88 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.554 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 mmt . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 3' ' ' ALA . 2.4 mt-10 -73.94 116.09 14.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.603 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 2' ' ' GLU . . . 177.31 81.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.558 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.7 m -162.68 61.08 1.09 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.636 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -74.4 -48.77 0.19 Allowed 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.804 2.336 . . . . 0.0 112.149 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.47 124.79 25.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.628 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 88.2 p -96.59 -55.57 2.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.506 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.61 71.23 0.61 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -48.9 103.53 0.06 OUTLIER 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.716 2.278 . . . . 0.0 112.026 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.4 mtt180 -73.1 -169.26 0.59 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.587 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.5 t-160 -132.95 93.93 3.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.456 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.842 HD22 ' N ' ' A' ' 12' ' ' LEU . 1.0 OUTLIER -107.4 173.33 6.37 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.135 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 64.6 mtm -74.9 162.35 28.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.855 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -75.22 142.93 76.03 Favored Pre-proline 0 CA--C 1.536 0.422 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.391 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.431 ' O ' ' OG1' ' A' ' 19' ' ' THR . 71.1 Cg_exo -40.69 -55.46 1.97 Allowed 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 122.169 1.913 . . . . 0.0 112.205 179.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -59.98 -51.85 67.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.123 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.421 ' O ' ' OD1' ' A' ' 21' ' ' ASN . 1.8 mm -48.66 -38.47 9.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.654 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -73.48 -60.9 2.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.628 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -46.22 -44.77 16.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.52 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 m -61.4 -43.36 99.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.563 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.617 ' ND2' ' CE1' ' A' ' 32' ' ' TYR . 19.3 m120 -73.99 -9.61 58.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.598 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -132.6 27.56 4.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.573 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 19' ' ' THR . 0.8 OUTLIER -86.56 97.01 10.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.493 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 25' ' ' GLY . 23.7 m-20 46.73 -118.0 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.575 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.43 ' O ' ' O ' ' A' ' 24' ' ' ASN . . . -57.48 -154.5 0.01 OUTLIER Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.453 ' C ' HD12 ' A' ' 26' ' ' ILE . 1.2 pp -140.61 -174.91 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.746 0.308 . . . . 0.0 110.595 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -105.71 -117.06 4.26 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.517 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 1.3 tpm_? -154.45 137.46 15.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.747 0.308 . . . . 0.0 110.545 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 28' ' ' ARG . 56.7 p-80 40.7 59.29 2.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.597 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -156.26 21.21 0.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.485 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.836 HG22 ' CD2' ' A' ' 98' ' ' TRP . 7.2 p -46.79 138.02 6.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.962 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.617 ' CE1' ' ND2' ' A' ' 21' ' ' ASN . 1.4 m-85 -110.2 145.85 36.57 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.656 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.655 HD23 ' C ' ' A' ' 33' ' ' LEU . 6.2 tt -139.85 120.06 13.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.604 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -111.12 107.24 16.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.402 179.708 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.429 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 30.4 p90 -97.18 135.13 39.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.779 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.697 ' OE1' HG21 ' A' ' 164' ' ' THR . 1.9 tt0 -122.99 146.42 47.64 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.382 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.703 HG21 ' ND1' ' A' ' 51' ' ' HIS . 34.6 t -121.78 129.72 75.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.761 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -143.81 137.1 27.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.461 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 24.1 ptt85 -89.71 140.64 29.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.602 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.35 126.44 52.24 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.459 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -143.62 105.22 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.623 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.479 ' C ' ' H ' ' A' ' 44' ' ' THR . 0.3 OUTLIER 54.39 51.65 13.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.555 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.07 -18.97 1.35 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.479 ' H ' ' C ' ' A' ' 42' ' ' ASN . 1.7 m -75.08 109.05 8.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.803 0.335 . . . . 0.0 110.573 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.5 m -99.3 110.69 23.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.602 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.5 t -110.19 110.67 33.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.521 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 148.91 39.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.411 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 28.0 mtm -104.03 141.28 36.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.499 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -81.25 -50.36 9.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.662 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -88.68 66.99 8.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.325 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.703 ' ND1' HG21 ' A' ' 37' ' ' VAL . 7.8 t-80 -170.46 -2.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.588 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.426 ' H ' ' H ' ' A' ' 51' ' ' HIS . 35.3 mtm180 -100.67 156.44 17.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.644 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.429 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . -171.53 175.03 45.13 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.434 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 14.8 p90 -147.29 141.98 26.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.662 0.267 . . . . 0.0 110.591 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 mt -135.62 175.28 9.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.581 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.56 ' C ' ' HB2' ' A' ' 71' ' ' ALA . 1.6 p80 -137.76 152.59 49.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.462 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.569 HD22 ' N ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -63.41 -178.51 0.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.719 -179.877 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' ' 57' ' ' ASN . 2.7 mm-40 49.84 177.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.71 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -162.12 -141.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.476 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -120.47 32.45 6.0 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.583 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -104.96 79.88 1.56 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.449 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.467 HD23 ' N ' ' A' ' 62' ' ' LEU . 1.7 mt -85.02 6.58 24.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.666 -179.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.512 ' N ' HD12 ' A' ' 63' ' ' LEU . 10.4 mp -69.43 -19.97 63.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.508 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.2 m -107.96 -9.8 15.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.578 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.499 ' O ' ' CG ' ' A' ' 66' ' ' PHE . . . 103.74 50.03 1.05 Allowed Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.499 ' CG ' ' O ' ' A' ' 65' ' ' GLY . 28.4 p90 40.29 29.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 0.0 110.633 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.496 ' CG ' ' O ' ' A' ' 67' ' ' TYR . 12.2 p90 -40.16 117.78 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.693 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -55.73 124.93 35.35 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.3 ttm180 -137.76 106.6 5.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.347 . . . . 0.0 110.514 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.485 ' O ' ' CD2' ' A' ' 70' ' ' HIS . 0.3 OUTLIER -53.47 138.33 33.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.654 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.56 ' HB2' ' C ' ' A' ' 56' ' ' HIS . . . -75.62 -20.92 58.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.679 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -42.46 -49.55 5.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.1 tp -76.24 -39.55 54.21 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -51.31 -30.2 17.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.495 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -84.19 -47.19 11.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.602 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 76' ' ' LEU . 24.1 tp -63.47 -20.26 65.43 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.476 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -73.17 -34.36 65.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.654 ' C ' HD12 ' A' ' 78' ' ' LEU . 3.8 pp -100.13 8.04 44.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.817 0.341 . . . . 0.0 110.877 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.587 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -63.59 -41.38 65.63 Favored Pre-proline 0 CA--C 1.532 0.286 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.875 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.587 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 23.1 Cg_exo -60.99 -17.61 52.68 Favored 'Trans proline' 0 N--CA 1.495 1.559 0 C-N-CA 122.239 1.959 . . . . 0.0 112.092 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -69.9 -12.07 61.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.803 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.8 mt -87.37 5.9 36.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.675 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 41.92 45.73 3.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.515 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.2 mt -40.01 156.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.669 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 0.6 OUTLIER -115.65 85.05 13.3 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.58 -179.922 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -48.78 -13.18 0.25 Allowed 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.297 1.998 . . . . 0.0 112.233 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.505 ' C ' HE21 ' A' ' 88' ' ' GLN . . . -42.36 -74.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.443 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.505 HE21 ' C ' ' A' ' 87' ' ' ALA . 14.2 mm-40 -90.64 -170.51 2.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.423 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -91.22 158.95 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.454 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -137.17 173.84 11.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.631 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -149.55 110.34 4.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.703 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.8 t -97.23 113.99 33.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.31 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -98.13 118.98 35.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 -179.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -101.45 131.99 47.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.533 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -126.27 103.05 7.46 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 178.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.77 150.0 15.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.971 -177.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.657 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 1.0 OUTLIER -97.01 -21.23 17.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.702 178.718 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.836 ' CD2' HG22 ' A' ' 31' ' ' THR . 18.8 m95 -111.98 153.3 27.0 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.405 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -78.86 160.52 71.46 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.53 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' A' ' 99' ' ' SER . 59.4 Cg_exo -42.16 171.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.497 2.131 . . . . 0.0 112.289 179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.44 -75.1 0.5 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.218 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.444 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -109.48 98.42 7.81 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 179.242 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.516 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 12.6 t -44.72 -28.48 0.63 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.945 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -85.28 -21.79 28.85 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.531 -179.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -84.82 -62.35 1.69 Allowed Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -78.85 -66.85 0.81 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.728 0.299 . . . . 0.0 111.065 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -60.49 -33.38 72.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.03 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -66.65 -58.17 8.87 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -57.83 -35.47 70.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.885 0.374 . . . . 0.0 110.357 179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.9 t -74.73 -34.0 32.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.428 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 67.7 ttt-85 -60.86 -59.5 5.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.081 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -55.78 -42.22 75.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.131 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -54.13 -39.83 66.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.131 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.422 ' C ' ' N ' ' A' ' 116' ' ' GLU . 1.4 mp -76.09 -53.9 7.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.336 179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -46.64 -20.77 0.14 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.308 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.422 ' N ' ' C ' ' A' ' 114' ' ' LEU . 50.8 mt-10 -110.44 -18.88 13.13 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.088 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.504 ' O ' HG12 ' A' ' 120' ' ' VAL . 3.2 m120 -134.41 46.97 2.43 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.793 0.33 . . . . 0.0 111.059 -179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.9 t -59.32 -1.93 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.75 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.527 ' O ' ' ND1' ' A' ' 119' ' ' HIS . 2.4 p80 -76.33 8.66 3.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.504 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.504 HG12 ' O ' ' A' ' 117' ' ' ASN . 8.1 p -131.25 142.14 44.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.653 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.57 136.31 33.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.284 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.491 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -116.8 112.49 21.2 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.806 -179.626 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.491 ' N ' HD13 ' A' ' 122' ' ' LEU . 60.3 mtt180 -112.41 117.76 33.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.968 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 6.1 mt -105.59 128.48 59.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.202 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -126.42 118.23 24.56 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.769 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -101.06 113.57 26.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.279 179.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.657 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -81.65 -42.95 19.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.819 -179.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -132.05 143.85 50.34 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.434 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.1 mt -103.78 124.44 58.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.57 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -167.58 119.51 0.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.347 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -149.77 -175.16 4.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.515 -179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -99.83 -57.43 2.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.516 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.57 162.72 19.36 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.387 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -70.51 -2.92 11.49 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.588 2.192 . . . . 0.0 112.091 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.1 tp -45.52 -27.7 0.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.66 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.494 ' CG ' ' N ' ' A' ' 137' ' ' LYS . 0.0 OUTLIER -42.66 -44.03 4.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.5 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.494 ' N ' ' CG ' ' A' ' 136' ' ' TYR . 67.6 tttt -57.21 -55.32 36.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.524 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -45.93 -36.56 5.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.463 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 136' ' ' TYR . . . -61.59 -57.34 12.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.55 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.6 mp -46.17 -34.27 4.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.514 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -77.97 -57.8 3.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.714 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.49 ' SD ' ' OG ' ' A' ' 103' ' ' SER . 2.5 ttm -44.49 -26.83 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.385 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 146' ' ' ALA . 10.2 mt -81.34 -48.88 11.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.468 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 16.0 ttt180 -44.98 -35.73 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.516 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -78.14 -24.52 47.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.542 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -78.99 -24.01 44.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.469 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 88.38 22.34 41.14 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -85.83 160.68 19.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.709 0.29 . . . . 0.0 110.603 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.5 125.93 39.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.493 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 2.2 t -132.14 115.4 26.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.594 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 5.6 p -149.75 161.88 41.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.543 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.521 ' O ' HG23 ' A' ' 152' ' ' ILE . 0.9 OUTLIER -84.39 126.69 40.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.533 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.59 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 3.3 ttt -41.6 108.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.601 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.28 174.2 7.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.592 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -53.48 -49.23 67.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.65 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -55.27 -60.55 3.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.744 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.408 ' N ' ' CD ' ' A' ' 157' ' ' GLU . 3.9 mp0 -54.53 -28.84 48.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.794 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.59 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 0.3 OUTLIER -67.83 -63.9 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.673 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 11.6 ttpp -42.62 -46.16 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.993 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.487 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.2 OUTLIER -67.78 -55.2 13.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.905 -179.681 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.487 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 10.9 t -56.21 -23.72 37.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.957 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' TRP . . . . . 0.634 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 4.5 t-105 -72.52 -69.72 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.913 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . 0.634 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 1.1 p30 -63.51 -14.23 48.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.274 -179.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.697 HG21 ' OE1' ' A' ' 36' ' ' GLU . 99.5 m -84.82 -25.75 27.91 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.22 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -121.56 18.77 11.25 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.594 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.538 ' C ' ' H ' ' A' ' 168' ' ' HIS . 58.8 t -134.44 154.09 36.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-O 121.06 0.457 . . . . 0.0 111.248 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . 0.432 ' N ' HG12 ' A' ' 166' ' ' VAL . 0.6 OUTLIER -75.05 33.02 0.1 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.575 179.424 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.756 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -38.18 -53.21 1.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.11 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . 0.629 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 42.8 mm-40 39.03 19.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.367 179.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . 0.756 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 140.35 0.08 1.91 Allowed Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.618 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 1.2 m -114.12 85.98 10.98 Favored Pre-proline 0 CA--C 1.531 0.222 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -77.47 163.09 30.1 Favored 'Trans proline' 0 C--N 1.314 -1.283 0 C-N-CA 122.061 1.841 . . . . 0.0 112.655 -179.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -51.56 142.56 13.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.734 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -120.84 84.1 37.66 Favored Pre-proline 0 CA--C 1.532 0.251 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.435 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -48.63 131.28 23.78 Favored 'Trans proline' 0 C--N 1.311 -1.435 0 C-N-CA 122.273 1.982 . . . . 0.0 112.147 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 1.3 p90 -98.25 178.15 5.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.509 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -80.84 101.13 9.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.517 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 139.11 -21.44 2.97 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.5 tt -42.26 -44.72 3.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.729 0.299 . . . . 0.0 110.505 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . 0.425 ' N ' ' OD1' ' A' ' 180' ' ' ASP . 0.6 OUTLIER -62.17 -54.02 47.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.567 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -53.35 -54.44 36.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.577 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -50.68 -46.66 58.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.549 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 12.1 t -62.15 -34.08 75.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.599 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -61.95 -34.72 76.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.612 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -74.11 -61.02 2.0 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.558 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 45.3 mt -56.27 -52.65 63.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.537 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 8.5 t -60.18 -46.47 89.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.635 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -47.22 -39.12 12.72 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . 0.419 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 0.4 OUTLIER -68.43 -60.03 2.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.797 0.332 . . . . 0.0 110.598 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.471 ' CD2' HD23 ' A' ' 194' ' ' LEU . 0.8 OUTLIER -49.03 -46.89 44.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.568 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -61.97 -36.45 81.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.609 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . 0.47 ' O ' ' NE2' ' A' ' 195' ' ' GLN . . . -55.06 -48.27 73.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.654 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . 0.503 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.6 mp -72.87 -43.32 60.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.626 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 196' ' ' ASN . 1.6 mm? -64.61 -18.55 65.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.637 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 192' ' ' ALA . 0.0 OUTLIER 64.0 -68.54 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.843 179.904 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 196' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 194' ' ' LEU . 1.6 t30 55.97 107.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.623 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -56.1 -74.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.613 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -172.34 112.45 0.44 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.219 -0.509 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.466 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.407 ' O ' ' O ' ' A' ' 2' ' ' GLU . 2.7 mmt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 1' ' ' MET . 31.6 tt0 55.51 107.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.581 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -146.03 124.5 12.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.61 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.28 162.66 29.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.476 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -69.58 142.32 48.41 Favored 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.562 2.175 . . . . 0.0 112.08 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.51 -85.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.61 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.02 179.34 0.15 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.507 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -179.41 -65.7 0.07 OUTLIER Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.413 ' O ' ' O ' ' A' ' 10' ' ' ARG . 57.7 Cg_endo -74.65 -51.97 0.12 Allowed 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.812 2.341 . . . . 0.0 112.196 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 9' ' ' PRO . 4.8 tmm_? 54.98 107.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.296 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.4 ' CD2' ' N ' ' A' ' 11' ' ' HIS . 0.3 OUTLIER -167.31 73.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.362 -179.697 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.983 HD22 ' H ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -98.82 173.44 6.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.524 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.59 ' SD ' ' CZ ' ' A' ' 54' ' ' PHE . 3.5 mpp? -74.81 167.34 22.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.756 179.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.67 144.69 80.78 Favored Pre-proline 0 CA--C 1.537 0.451 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.478 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.424 ' O ' ' OG1' ' A' ' 19' ' ' THR . 88.7 Cg_exo -41.49 -48.08 5.58 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 122.113 1.876 . . . . 0.0 112.13 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -45.62 74.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.117 -179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.9 mm -48.75 -33.58 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.813 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 35.9 t80 -82.5 -60.52 2.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.846 0.355 . . . . 0.0 110.877 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -52.21 -25.66 9.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 -179.69 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.0 t -85.3 -46.93 10.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.66 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.598 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 24.2 t-20 -66.03 -26.44 67.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.666 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 40.9 m-85 -110.19 22.0 16.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.684 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -61.72 102.97 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.58 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -43.2 118.57 1.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.609 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.35 76.91 1.01 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.404 ' O ' ' CZ ' ' A' ' 130' ' ' TYR . 1.8 pp -136.71 167.05 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.768 0.318 . . . . 0.0 110.469 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.4 ' H ' ' H ' ' A' ' 28' ' ' ARG . . . -158.51 -2.91 0.07 OUTLIER Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' A' ' 29' ' ' HIS . 0.5 OUTLIER -172.9 120.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.877 0.37 . . . . 0.0 110.589 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.507 ' CG ' ' O ' ' A' ' 28' ' ' ARG . 3.8 m-70 -176.41 -89.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.625 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.2 ttpp -175.17 102.14 0.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.296 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.73 HG22 ' CD2' ' A' ' 98' ' ' TRP . 1.6 p -46.56 159.94 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.048 0.451 . . . . 0.0 111.113 -179.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.598 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -130.58 146.99 52.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.264 179.847 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.587 HD23 ' C ' ' A' ' 33' ' ' LEU . 4.2 tt -136.29 109.19 7.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.665 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.476 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -104.25 112.36 25.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.006 179.499 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.477 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 41.6 p90 -105.61 145.85 30.45 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.197 -179.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.543 ' OE2' HG21 ' A' ' 164' ' ' THR . 3.5 mt-10 -139.29 130.73 27.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.374 179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.722 HG11 ' CE1' ' A' ' 51' ' ' HIS . 17.4 t -98.14 135.79 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.979 0.419 . . . . 0.0 110.771 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -142.92 140.75 31.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.428 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.508 ' NH1' ' OD2' ' A' ' 41' ' ' ASP . 49.1 ttp85 -101.63 147.45 26.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.513 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 mp -100.07 139.48 35.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.624 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.508 ' OD2' ' NH1' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -149.83 103.18 3.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.543 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.422 ' C ' ' H ' ' A' ' 44' ' ' THR . 3.4 t30 52.91 48.31 22.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.594 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.76 -16.76 3.04 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.422 ' H ' ' C ' ' A' ' 42' ' ' ASN . 1.3 m -84.23 106.94 16.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.87 0.366 . . . . 0.0 110.564 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.463 ' CB ' HH21 ' A' ' 91' ' ' ARG . 72.7 m -85.67 142.85 28.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.544 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.61 ' O ' HG23 ' A' ' 46' ' ' VAL . 20.4 m -136.28 117.52 18.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.64 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.32 150.38 24.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.38 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.69 156.7 22.32 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.662 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.92 -50.49 4.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.638 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -85.14 61.75 7.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.979 0.419 . . . . 0.0 110.189 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.722 ' CE1' HG11 ' A' ' 37' ' ' VAL . 5.1 t-80 -173.41 14.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.133 -179.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.36 170.99 14.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.614 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.477 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . 179.98 -160.34 25.31 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.59 ' CZ ' ' SD ' ' A' ' 13' ' ' MET . 6.9 p90 -149.35 152.29 35.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.761 0.315 . . . . 0.0 110.68 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.418 HD12 ' O ' ' A' ' 54' ' ' PHE . 1.2 mp -127.2 178.52 5.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.465 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.409 ' CD2' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -139.62 148.43 42.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.653 -179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.436 ' O ' ' O ' ' A' ' 58' ' ' GLN . 1.2 t-20 -48.71 154.51 0.68 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.644 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.436 ' O ' ' O ' ' A' ' 57' ' ' ASN . 23.1 pt20 35.9 -157.56 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.93 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -153.17 129.32 10.43 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.771 0.32 . . . . 0.0 110.719 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.6 mtpp -65.65 77.04 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.517 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.481 ' C ' ' H ' ' A' ' 63' ' ' LEU . 55.8 m-80 -150.6 82.4 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.592 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.555 ' N ' HD12 ' A' ' 62' ' ' LEU . 7.6 mp -68.28 7.97 0.51 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.583 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.481 ' H ' ' C ' ' A' ' 61' ' ' ASN . 10.8 mp -69.53 -28.99 66.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.534 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.0 t -101.13 -16.54 17.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.54 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 66' ' ' PHE . . . 108.96 46.01 0.98 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.521 ' CE1' ' O ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER 58.44 120.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.821 0.344 . . . . 0.0 110.715 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.521 ' O ' ' CE1' ' A' ' 66' ' ' PHE . 26.1 m-85 -83.41 149.57 26.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.493 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -132.93 69.31 0.54 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.4 ptt180 -137.9 142.62 40.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.861 0.362 . . . . 0.0 110.505 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -66.03 139.54 58.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.489 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.16 -25.6 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.402 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -63.33 -44.24 95.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.449 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.7 -59.96 3.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.046 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.5 ttp85 -53.19 -24.21 10.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.1 179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -81.74 -39.43 24.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.356 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 tp -59.43 -23.57 62.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.08 0.467 . . . . 0.0 109.825 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -78.07 -16.52 57.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.3 179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.473 ' O ' HD23 ' A' ' 78' ' ' LEU . 6.3 tt -92.29 -5.15 52.86 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.034 -179.175 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.502 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -54.33 -44.27 98.53 Favored Pre-proline 0 CA--C 1.534 0.354 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.556 -179.31 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.502 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 25.8 Cg_exo -59.57 -20.77 59.08 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 121.995 1.797 . . . . 0.0 111.964 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.434 ' C ' HD12 ' A' ' 82' ' ' LEU . 6.1 m -69.0 -9.08 50.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.588 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.454 ' CD1' ' N ' ' A' ' 82' ' ' LEU . 7.3 mp -100.58 -45.55 5.49 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.303 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.425 ' O ' ' OE1' ' A' ' 83' ' ' GLN . 0.3 OUTLIER 68.59 51.9 0.61 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.86 179.597 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 51.8 mt -68.56 101.92 1.37 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.437 179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.421 ' OD1' ' OE1' ' A' ' 83' ' ' GLN . 0.3 OUTLIER -77.91 161.35 71.53 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.538 -179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.429 ' O ' ' O ' ' A' ' 87' ' ' ALA . 52.1 Cg_endo -71.47 1.28 5.72 Favored 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.577 2.185 . . . . 0.0 112.12 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.429 ' O ' ' O ' ' A' ' 86' ' ' PRO . . . -41.57 -93.92 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.547 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.752 ' H ' ' NE2' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -104.73 -168.91 1.54 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.381 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.476 HG22 ' N ' ' A' ' 90' ' ' TYR . 3.2 mm -85.61 157.82 3.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.535 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.476 ' N ' HG22 ' A' ' 89' ' ' ILE . 18.1 m-85 -135.65 168.29 19.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.342 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.463 HH21 ' CB ' ' A' ' 45' ' ' SER . 0.5 OUTLIER -150.59 107.79 3.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.796 -179.839 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.432 ' O ' HD23 ' A' ' 122' ' ' LEU . 46.4 t -96.14 124.78 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.926 179.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.6 m -99.63 119.91 38.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.741 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.527 ' CD1' HD21 ' A' ' 122' ' ' LEU . 20.4 m0 -100.35 132.21 45.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.058 0.456 . . . . 0.0 110.677 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.432 ' CE2' ' SG ' ' A' ' 161' ' ' CYS . 62.7 m-85 -124.49 102.75 7.8 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 178.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -111.52 143.44 21.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.684 -178.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.636 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 1.6 p -91.63 -26.76 18.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.892 179.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.73 ' CD2' HG22 ' A' ' 31' ' ' THR . 16.5 m95 -111.79 151.0 29.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.123 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.511 ' CB ' HG23 ' A' ' 129' ' ' ILE . 37.8 m -83.57 150.61 60.19 Favored Pre-proline 0 CA--C 1.533 0.326 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.499 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' A' ' 99' ' ' SER . 66.5 Cg_exo -42.11 170.84 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.284 0 C-N-CA 122.244 1.963 . . . . 0.0 112.375 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 1.7 p -112.19 -46.56 3.18 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.275 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' A' ' 105' ' ' GLY . 1.5 t80 -135.79 111.37 9.26 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.94 179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.608 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 80.2 p -41.08 -36.64 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.977 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -85.25 -19.82 31.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.586 -179.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.22 -63.23 1.59 Allowed Glycine 0 CA--C 1.525 0.695 0 C-N-CA 120.43 -0.89 . . . . 0.0 110.935 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 1.4 m -78.1 -68.97 0.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.837 0.351 . . . . 0.0 110.697 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -54.85 -39.05 68.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.604 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -56.96 -60.3 9.29 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -51.15 -39.78 57.09 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.295 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.54 -37.14 78.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.489 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 59.0 ttt85 -59.6 -58.9 6.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.414 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.411 ' O ' ' OE1' ' A' ' 116' ' ' GLU . . . -49.59 -42.6 44.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.361 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -61.91 -31.16 71.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.651 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.0 mp -80.9 -52.05 7.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.725 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -51.86 -25.9 8.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.573 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' A' ' 112' ' ' ALA . 5.0 pt-20 -110.18 18.09 20.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.983 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.525 ' C ' ' H ' ' A' ' 119' ' ' HIS . 5.8 t30 -166.53 35.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.739 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 68.7 p -51.48 -5.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.173 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.525 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -75.73 11.23 1.41 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 0.0 110.657 -179.881 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 120' ' ' VAL . 4.1 p -138.94 129.33 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.68 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -91.47 120.92 32.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.346 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.527 HD21 ' CD1' ' A' ' 94' ' ' TRP . 0.7 OUTLIER -107.18 112.59 25.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.048 -179.736 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 44.7 mtt180 -94.34 121.16 35.58 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 21.0 mm -104.38 125.97 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.927 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -126.4 113.42 16.84 Favored 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.14 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -98.25 110.87 23.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.155 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.636 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -78.52 -38.82 39.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.788 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.487 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.5 OUTLIER -137.05 148.6 46.89 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.571 -179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.511 HG23 ' CB ' ' A' ' 99' ' ' SER . 2.1 mp -114.17 104.25 16.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.747 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.404 ' CZ ' ' O ' ' A' ' 26' ' ' ILE . 6.9 m-85 -140.13 118.69 12.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.258 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.417 ' C ' ' H ' ' A' ' 133' ' ' ASP . 19.6 p30 -177.61 138.3 0.22 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.462 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . 0.504 ' CD2' ' OD1' ' A' ' 133' ' ' ASP . 54.7 p90 -74.21 10.06 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.143 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.504 ' OD1' ' CD2' ' A' ' 132' ' ' TYR . 57.9 m-20 -125.48 78.99 67.68 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.545 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.486 ' O ' ' N ' ' A' ' 136' ' ' TYR . 50.7 Cg_exo -49.9 -5.35 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 122.638 2.226 . . . . 0.0 112.492 -179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.499 ' H ' ' C ' ' A' ' 133' ' ' ASP . 2.6 mt -46.84 -14.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.608 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.486 ' N ' ' O ' ' A' ' 134' ' ' PRO . 0.2 OUTLIER -42.19 -33.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.546 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -52.74 -59.21 4.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.251 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -56.05 -32.21 63.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.154 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -69.02 -24.09 64.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.388 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.7 -43.54 54.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.245 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -80.12 -36.91 34.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.769 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.11 -46.53 80.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.687 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.506 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 52.5 tp -66.19 -49.76 66.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.464 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.438 ' NH1' HD21 ' A' ' 194' ' ' LEU . 8.5 ttt85 -45.0 -48.66 11.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.555 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -58.54 -24.82 61.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.584 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 143' ' ' LEU . . . -70.81 -10.94 60.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.636 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 94.31 -32.34 6.04 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -47.59 164.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.77 0.319 . . . . 0.0 110.502 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.25 132.7 41.44 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.513 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -131.99 111.92 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.654 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.08 162.11 41.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.509 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 10.1 mt -83.02 132.87 30.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.449 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.586 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 5.8 ttt -41.51 118.92 1.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.539 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -92.24 160.03 15.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.642 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -56.21 -45.98 79.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.616 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -43.14 75.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.492 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -65.85 -40.27 91.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.519 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.586 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.8 OUTLIER -52.37 -41.45 63.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.536 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -67.03 -60.79 2.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.595 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.432 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -47.74 -44.47 28.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.363 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.529 ' O ' ' N ' ' A' ' 165' ' ' PHE . 1.3 m -67.19 -52.92 35.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.591 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' TRP . . . . . 0.585 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.1 t-105 -43.81 -66.57 0.37 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.156 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . 0.585 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -59.37 -30.35 68.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.452 -179.215 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.543 HG21 ' OE2' ' A' ' 36' ' ' GLU . 91.0 m -83.74 -16.36 45.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.354 -179.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.529 ' N ' ' O ' ' A' ' 161' ' ' CYS . 36.1 m-85 -120.42 19.7 12.0 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.377 -179.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.531 ' C ' ' H ' ' A' ' 168' ' ' HIS . 96.1 t -144.67 154.05 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.026 0.441 . . . . 0.0 111.121 179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . 0.589 ' HA ' HD23 ' A' ' 12' ' ' LEU . 32.8 p30 -75.5 29.22 0.1 Allowed 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.873 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.744 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.1 OUTLIER -37.84 -52.18 1.31 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.036 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . 0.609 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 13.8 mt-30 40.12 18.62 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.396 179.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . 0.744 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 138.92 4.42 1.56 Allowed Glycine 0 CA--C 1.528 0.892 0 N-CA-C 111.386 -0.685 . . . . 0.0 111.386 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.627 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 1.2 m -115.55 84.1 11.82 Favored Pre-proline 0 CA--C 1.53 0.201 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -79.19 131.87 10.02 Favored 'Trans proline' 0 C--N 1.313 -1.303 0 C-N-CA 122.137 1.891 . . . . 0.0 112.317 -179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.434 ' CE1' ' O ' ' A' ' 174' ' ' GLN . 2.4 t80 -79.31 128.72 33.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.65 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.459 ' CD ' ' N ' ' A' ' 174' ' ' GLN . 0.0 OUTLIER -101.23 156.68 34.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.423 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -71.29 146.89 52.0 Favored 'Trans proline' 0 N--CA 1.494 1.5 0 C-N-CA 122.476 2.118 . . . . 0.0 112.098 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 1.2 p90 -101.18 -170.06 1.78 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.292 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -87.25 86.56 7.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.585 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 151.78 -24.76 0.93 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 3.1 tp -56.57 -38.26 71.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 110.46 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 180' ' ' ASP . 0.0 OUTLIER -70.4 -50.93 33.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.495 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -56.47 -57.19 13.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.54 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -49.38 -55.45 12.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.575 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 55.4 p -48.46 -39.72 23.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.63 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -66.73 -48.04 70.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.461 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -57.7 -58.62 7.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.425 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 5.6 mt -51.6 -49.15 62.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.519 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 48.4 m -56.51 -25.04 50.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.492 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -72.42 -44.98 39.96 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . 0.55 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 22.2 mtm180 -59.4 -61.67 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.318 . . . . 0.0 110.493 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.2 tt -47.8 -56.65 6.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.468 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 195' ' ' GLN . 6.7 ttt180 -49.97 -36.17 27.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.564 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -57.78 -50.42 73.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.62 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . 0.507 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -59.45 -38.12 73.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.461 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.438 HD21 ' NH1' ' A' ' 144' ' ' ARG . 4.0 mt -77.58 -30.88 52.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.55 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 191' ' ' ARG . 30.1 mm-40 -133.44 -99.78 0.26 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.549 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -163.24 -56.9 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.562 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -141.59 -62.42 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.566 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 175.18 -116.84 0.59 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 199' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 199' ' ' ASN . 27.6 p30 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.491 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.521 ' O ' ' N ' ' A' ' 3' ' ' ALA . 1.6 mmt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 4.9 mp0 49.65 -87.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.666 -179.904 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 1' ' ' MET . . . 66.6 110.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.599 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.81 162.62 28.52 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.394 -179.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.652 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 39.6 Cg_endo -69.75 -28.14 25.67 Favored 'Trans proline' 0 C--N 1.309 -1.53 0 C-N-CA 122.488 2.125 . . . . 0.0 112.066 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 5' ' ' PRO . . . 78.09 -38.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.622 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 m 59.16 103.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.59 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.02 -61.9 6.93 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_exo -45.52 114.77 0.8 Allowed 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.743 2.295 . . . . 0.0 112.042 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.67 169.99 19.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.701 -179.916 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -156.94 68.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.241 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.512 HD12 ' N ' ' A' ' 12' ' ' LEU . 6.4 mp -94.55 174.98 6.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.068 -179.835 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.508 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 0.0 OUTLIER -61.16 144.26 53.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.322 -179.818 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.0 138.7 79.34 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.781 -179.213 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.408 ' O ' ' OG1' ' A' ' 19' ' ' THR . 81.0 Cg_exo -40.96 -46.76 5.0 Favored 'Trans proline' 0 N--CA 1.491 1.331 0 C-N-CA 122.132 1.888 . . . . 0.0 112.407 179.436 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -70.17 -44.73 68.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.197 -179.442 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.7 mm -48.81 -39.18 11.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.75 -179.525 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -79.3 -60.89 2.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.689 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.5 OUTLIER -48.16 -24.24 1.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.642 -179.954 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.5 t -81.08 -49.36 10.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.63 -179.945 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -71.81 -1.63 14.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.732 -179.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -133.17 24.52 4.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.664 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.46 ' CG ' ' H ' ' A' ' 24' ' ' ASN . 0.7 OUTLIER -77.86 -119.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.614 179.95 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.46 ' H ' ' CG ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -148.7 157.61 43.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.497 179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 43.38 70.96 0.47 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.527 ' C ' HD12 ' A' ' 26' ' ' ILE . 1.6 pp -103.2 -165.95 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -146.23 159.05 27.88 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.519 ' CA ' ' NE ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -68.64 124.34 23.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.415 0.626 . . . . 0.0 110.392 -179.289 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.574 ' N ' ' ND1' ' A' ' 29' ' ' HIS . 0.0 OUTLIER -157.29 -30.35 0.08 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.544 179.537 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.44 ' N ' ' ND1' ' A' ' 29' ' ' HIS . 2.9 pttt 168.23 77.35 0.0 OUTLIER 'General case' 0 C--O 1.231 0.095 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.793 179.641 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.9 t -44.52 162.29 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.269 -0.572 . . . . 0.0 110.769 179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -110.65 151.05 28.14 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.754 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.1 tp -143.12 111.88 6.44 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.454 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.31 132.19 51.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.065 179.437 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.441 ' O ' ' CG ' ' A' ' 35' ' ' TYR . 6.5 p90 -123.82 134.57 53.59 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.888 -179.568 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -123.26 159.1 29.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.276 179.587 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.618 HG21 ' CE1' ' A' ' 51' ' ' HIS . 25.6 t -130.56 123.38 54.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.584 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.526 ' OE1' ' NH2' ' A' ' 91' ' ' ARG . 1.2 tm-20 -139.14 138.24 36.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.625 179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -98.11 139.02 34.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.496 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.435 HD11 ' HB2' ' A' ' 91' ' ' ARG . 8.9 mt -105.77 137.79 43.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.502 -179.793 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -148.42 104.57 3.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.527 179.944 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 55.66 36.1 26.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.554 -179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.9 -3.17 84.7 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.9 m -87.61 114.5 24.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 110.526 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.422 ' OG ' ' OE1' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -97.41 110.27 22.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.589 -179.938 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 93.8 t -101.53 98.37 6.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.532 179.906 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -73.33 131.55 42.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.444 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.464 ' O ' ' NH1' ' A' ' 52' ' ' ARG . 53.8 mtt -80.97 150.77 28.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.658 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.21 -50.4 5.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.474 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -108.44 71.07 0.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.383 179.834 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.622 ' NE2' HD22 ' A' ' 82' ' ' LEU . 33.9 t-80 -163.66 14.39 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.619 -179.734 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.464 ' NH1' ' O ' ' A' ' 48' ' ' MET . 5.5 ptp85 -124.21 170.84 10.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.56 -179.931 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -178.94 -174.26 44.97 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.491 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 8.1 p90 -147.47 147.92 30.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.734 0.302 . . . . 0.0 110.678 -179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 mp -133.56 166.67 22.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.592 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.8 p80 -128.94 151.57 49.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.217 179.837 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.429 ' O ' ' O ' ' A' ' 58' ' ' GLN . 0.1 OUTLIER -92.51 171.83 8.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 110.929 -179.804 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.507 HE22 ' CD ' ' A' ' 28' ' ' ARG . 0.2 OUTLIER 48.94 101.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.736 -179.927 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -103.33 16.49 26.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.584 179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 7.5 mtpp 56.47 9.35 0.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.603 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -93.87 50.31 1.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.525 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 mp -76.42 -49.41 16.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.528 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.03 -20.84 66.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.511 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.487 ' O ' ' SG ' ' A' ' 64' ' ' CYS . 0.0 OUTLIER -77.46 -5.9 51.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.514 -179.982 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.74 -7.04 52.79 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -100.87 76.55 1.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.319 . . . . 0.0 110.545 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.466 ' O ' ' N ' ' A' ' 69' ' ' ARG . 0.6 OUTLIER -54.24 155.32 3.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.545 -179.939 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -41.18 93.99 0.01 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 67' ' ' TYR . 0.1 OUTLIER -100.58 117.33 34.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 110.412 179.92 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -42.45 138.83 1.67 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.538 -179.93 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.62 -36.52 80.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.439 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -55.96 -52.14 65.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.493 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 7.2 mp -53.05 -39.01 62.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.477 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -69.46 -27.44 65.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.58 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -78.86 -48.22 15.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.593 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 tp -65.76 -20.32 66.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.667 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -77.43 -29.06 52.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.991 -179.797 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.661 ' C ' HD12 ' A' ' 78' ' ' LEU . 4.1 pp -105.05 7.79 34.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.675 -179.891 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.572 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -63.88 -41.44 63.65 Favored Pre-proline 0 CA--C 1.532 0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.806 179.865 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 32.9 Cg_exo -58.5 -18.53 39.84 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.166 1.911 . . . . 0.0 111.9 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.2 t -57.1 -8.98 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.598 179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.622 HD22 ' NE2' ' A' ' 51' ' ' HIS . 35.1 mt -97.41 -34.64 10.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.531 -179.783 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 56.34 44.91 23.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.89 179.81 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 79.6 mt -50.46 135.86 21.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.219 179.727 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.51 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -100.63 162.58 20.28 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.615 -179.798 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -71.75 3.8 3.54 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.572 2.182 . . . . 0.0 112.232 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -40.56 -70.61 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.567 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.641 ' H ' ' NE2' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -129.68 -176.42 3.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.199 179.804 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.9 mt -84.64 157.96 3.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.612 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -127.92 169.71 13.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.618 -179.907 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.526 ' NH2' ' OE1' ' A' ' 38' ' ' GLU . 4.6 ttm180 -147.09 107.35 4.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.621 179.822 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 39.5 t -93.31 126.48 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.291 179.767 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -105.34 116.75 32.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.814 -179.649 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 14.0 m0 -101.31 131.96 47.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.568 179.73 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.518 ' CG ' ' SG ' ' A' ' 161' ' ' CYS . 19.0 m-85 -126.68 102.94 7.29 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 178.664 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.74 141.08 24.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.76 -178.548 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.626 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 2.9 p -93.24 -18.42 22.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.669 178.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.517 ' CE3' ' NH2' ' A' ' 28' ' ' ARG . 20.1 m95 -125.63 141.64 51.92 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.391 -179.903 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.807 ' OG ' HG23 ' A' ' 129' ' ' ILE . 0.5 OUTLIER -54.33 159.73 2.98 Favored Pre-proline 0 C--N 1.331 -0.233 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.327 179.513 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -69.45 165.01 32.08 Favored 'Trans proline' 0 N--CA 1.492 1.439 0 C-N-CA 122.388 2.059 . . . . 0.0 112.203 179.715 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.598 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 13.9 p -96.58 -145.81 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.545 -179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.598 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.1 OUTLIER -40.96 103.57 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.892 179.568 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.898 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 17.5 p -38.86 -24.63 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.646 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.52 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -84.61 -33.95 23.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.254 -179.59 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -77.65 -61.65 2.54 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -68.64 -68.95 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.742 0.306 . . . . 0.0 111.123 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.898 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -55.87 -60.36 3.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.092 -179.475 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -42.0 -53.05 4.77 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.68 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 105' ' ' GLY . 6.0 mm-40 -49.42 -44.68 45.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.37 . . . . 0.0 110.328 179.862 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 87.1 t -68.29 -43.33 84.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.438 179.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.495 ' NH2' ' OE1' ' A' ' 115' ' ' GLN . 69.7 ttt-85 -49.22 -58.51 4.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.42 179.93 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.8 -48.01 67.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.389 179.809 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -52.61 -36.45 56.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.508 179.843 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.464 ' C ' ' N ' ' A' ' 116' ' ' GLU . 4.8 mp -77.81 -58.48 3.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.55 -179.912 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.495 ' OE1' ' NH2' ' A' ' 111' ' ' ARG . 14.6 mt-30 -47.99 -15.17 0.06 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.42 179.86 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.464 ' N ' ' C ' ' A' ' 114' ' ' LEU . 29.9 tt0 -110.13 -38.64 5.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.808 -179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.689 ' O ' HG12 ' A' ' 120' ' ' VAL . 70.3 m-20 -125.3 52.95 1.57 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.825 -179.668 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.4 t -67.65 2.57 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.512 179.917 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.418 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.1 OUTLIER -76.31 9.83 2.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.358 179.871 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.689 HG12 ' O ' ' A' ' 117' ' ' ASN . 9.3 p -132.36 147.28 32.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.518 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -91.53 126.71 36.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.369 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.495 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -107.83 112.33 24.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.575 -179.793 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.495 ' N ' HD13 ' A' ' 122' ' ' LEU . 13.0 mtp180 -110.71 118.89 37.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.984 179.496 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.401 HG21 HD13 ' A' ' 124' ' ' ILE . 9.1 mt -105.45 129.17 58.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.117 -179.254 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.523 ' CD1' ' OE1' ' A' ' 157' ' ' GLU . 65.9 m-85 -124.86 108.49 11.97 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.734 179.514 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -92.22 106.87 18.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.265 179.628 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.626 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -75.17 -38.11 60.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.623 -179.846 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.43 132.88 28.52 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.733 179.889 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.807 HG23 ' OG ' ' A' ' 99' ' ' SER . 2.5 mp -98.2 109.71 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.621 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -127.96 135.35 49.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.383 179.672 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -168.39 171.75 8.88 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.681 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -103.57 -21.75 13.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.627 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -141.01 160.4 58.28 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.379 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.45 64.52 2.89 Favored 'Trans proline' 0 C--N 1.31 -1.472 0 C-N-CA 122.481 2.121 . . . . 0.0 111.898 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.5 tp -92.96 -30.79 15.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.571 179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.596 ' OH ' HD12 ' A' ' 193' ' ' ILE . 0.5 OUTLIER -45.98 -24.92 0.47 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.51 -179.92 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.594 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 10.1 ttmm -58.9 -61.1 2.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.519 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.96 -36.04 69.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.53 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.7 -49.79 75.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.527 -179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.517 HD21 ' CD1' ' A' ' 190' ' ' LEU . 2.5 mp -52.99 -41.51 64.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.455 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.614 HE22 ' NH2' ' A' ' 144' ' ' ARG . 67.2 mm-40 -70.89 -54.87 9.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.618 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 9.9 mmm -45.27 -41.97 9.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.587 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.1 mt -68.92 -42.41 76.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.645 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.614 ' NH2' HE22 ' A' ' 141' ' ' GLN . 16.3 ttm180 -56.31 -31.49 63.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.518 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.3 -14.15 41.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.579 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.43 -18.14 27.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.542 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.8 70.69 1.26 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -144.51 166.76 24.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 110.561 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -93.65 123.12 36.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.55 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -127.46 109.95 21.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.588 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 67.6 m -151.48 162.52 40.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.414 -179.953 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 22.9 mt -90.91 139.03 18.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.495 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.585 ' SD ' ' CE1' ' A' ' 158' ' ' PHE . 2.8 ttm -48.87 120.03 3.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.593 -179.858 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 31.7 p -97.84 165.63 11.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.739 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -48.0 -44.26 30.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.663 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -62.2 -61.05 2.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.523 ' OE1' ' CD1' ' A' ' 125' ' ' PHE . 37.0 mt-10 -52.2 -29.05 20.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.603 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.585 ' CE1' ' SD ' ' A' ' 153' ' ' MET . 0.3 OUTLIER -63.25 -65.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.32 179.814 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -42.52 -41.22 2.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 179.87 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.612 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.93 -57.58 4.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.594 -179.894 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.612 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 2.6 t -55.08 -23.22 19.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.569 179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 162' ' ' TRP . . . . . 0.617 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.4 t-105 -72.56 -70.52 0.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.209 -179.554 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . 0.617 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 1.4 p30 -66.23 -14.34 61.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.333 -179.359 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 87.1 m -81.71 -25.87 35.08 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.192 -179.604 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.508 ' O ' ' SD ' ' A' ' 13' ' ' MET . 5.3 m-85 -121.26 16.82 11.48 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.161 -179.547 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.551 ' C ' ' H ' ' A' ' 168' ' ' HIS . 71.5 t -130.66 153.8 39.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 120.882 0.372 . . . . 0.0 111.587 179.912 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . 0.47 ' N ' HG12 ' A' ' 166' ' ' VAL . 1.5 p-10 -74.69 29.71 0.09 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.936 -0.574 . . . . 0.0 109.608 178.885 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.73 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -36.84 -56.45 0.85 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.255 -179.783 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . 0.621 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 1.9 mt-30 42.72 14.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.232 179.423 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . 0.73 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 145.27 -1.69 1.05 Allowed Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.629 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 0.1 OUTLIER -99.57 106.25 38.71 Favored Pre-proline 0 CA--C 1.538 0.492 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.74 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -77.1 158.24 33.97 Favored 'Trans proline' 0 N--CA 1.491 1.354 0 C-N-CA 121.737 1.624 . . . . 0.0 112.723 -179.099 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -51.81 149.79 4.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.666 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -114.26 87.07 12.82 Favored Pre-proline 0 CA--C 1.533 0.305 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.617 -179.837 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -79.9 131.22 8.94 Favored 'Trans proline' 0 C--N 1.314 -1.247 0 C-N-CA 122.132 1.888 . . . . 0.0 112.027 -179.884 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 26.7 p90 -89.77 145.19 25.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.659 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -52.96 102.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.569 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 136.33 -12.6 4.07 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.17 -30.38 26.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.563 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . 0.406 ' O ' ' OG ' ' A' ' 183' ' ' SER . 34.0 m-20 -73.74 -47.55 38.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.508 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -62.63 -57.58 10.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.539 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -49.68 -46.63 50.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.572 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 180' ' ' ASP . 89.1 p -59.27 -44.77 92.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.656 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -56.19 -30.25 62.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.552 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -72.94 -65.17 0.83 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 8.4 mp -53.93 -49.24 69.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.466 179.878 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 22.8 m -59.58 -32.25 70.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.382 179.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -67.49 -37.51 89.96 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -61.22 -59.57 5.1 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.775 0.321 . . . . 0.0 110.476 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.517 ' CD1' HD21 ' A' ' 140' ' ' LEU . 1.9 mm? -57.18 -28.6 62.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.512 -179.916 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -79.81 -16.26 55.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.485 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -79.46 -49.22 12.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.628 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . 0.596 HD12 ' OH ' ' A' ' 136' ' ' TYR . 20.6 tt -68.63 -42.44 83.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.628 -179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.536 ' N ' HG23 ' A' ' 193' ' ' ILE . 0.7 OUTLIER -46.22 -22.28 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.411 179.958 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . 0.409 ' N ' ' C ' ' A' ' 193' ' ' ILE . 4.1 mm-40 49.22 91.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.57 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 196' ' ' ASN . . . . . 0.63 HD22 ' N ' ' A' ' 197' ' ' GLN . 0.7 OUTLIER 60.47 164.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.519 179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . 0.63 ' N ' HD22 ' A' ' 196' ' ' ASN . 43.3 mt-30 -56.58 -74.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.635 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -152.68 -85.09 0.05 OUTLIER Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.219 -0.547 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.502 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 3' ' ' ALA . 3.6 ttt . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.567 ' O ' ' HB3' ' A' ' 3' ' ' ALA . 94.8 mt-10 54.38 -91.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.612 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.567 ' HB3' ' O ' ' A' ' 2' ' ' GLU . . . 72.52 -66.62 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.598 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.429 ' C ' ' H ' ' A' ' 6' ' ' ALA . 24.3 p 42.72 70.84 1.6 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.575 -179.943 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -51.01 -8.92 0.19 Allowed 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.833 2.356 . . . . 0.0 112.127 -179.912 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.429 ' H ' ' C ' ' A' ' 4' ' ' SER . . . 53.6 53.47 11.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.593 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 26.8 p -163.84 91.33 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.585 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -137.38 177.09 20.12 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -75.03 -163.7 0.2 Allowed 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.943 2.429 . . . . 0.0 112.082 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.41 -179.45 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.558 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.51 ' O ' ' CD2' ' A' ' 11' ' ' HIS . 0.4 OUTLIER -156.05 83.35 1.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.663 179.948 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.546 HD12 ' N ' ' A' ' 12' ' ' LEU . 7.6 mp -95.17 173.35 7.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.329 179.857 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.473 ' SD ' ' O ' ' A' ' 165' ' ' PHE . 2.6 mpp? -80.74 165.97 21.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.782 0.325 . . . . 0.0 110.447 179.594 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -81.15 143.21 52.27 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.824 -179.401 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.438 ' O ' ' OG1' ' A' ' 19' ' ' THR . 71.7 Cg_exo -42.44 -55.65 2.48 Favored 'Trans proline' 0 N--CA 1.489 1.257 0 C-N-CA 122.184 1.922 . . . . 0.0 112.701 179.612 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.2 t60 -59.74 -46.78 88.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.763 -179.056 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 mm -48.47 -36.06 6.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.853 -179.177 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -82.69 -61.14 1.96 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.724 0.297 . . . . 0.0 110.913 -179.772 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -44.35 -24.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.783 -179.674 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.6 m -85.75 -59.7 2.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.759 -179.842 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.566 HD22 ' NH2' ' A' ' 28' ' ' ARG . 11.7 m120 -64.78 -4.06 3.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.876 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.423 ' O ' ' O ' ' A' ' 23' ' ' ASN . 41.8 m-85 -133.37 17.67 4.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.675 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 22' ' ' PHE . 58.9 t-20 -59.79 -123.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.5 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -158.92 119.67 3.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.674 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.702 ' H ' ' NH1' ' A' ' 128' ' ' ARG . . . 69.17 108.25 0.03 OUTLIER Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.059 -0.816 . . . . 0.0 111.059 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.707 HD13 ' H ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -145.57 -167.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.867 0.365 . . . . 0.0 110.588 179.865 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -159.58 30.87 0.41 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.566 ' NH2' HD22 ' A' ' 21' ' ' ASN . 0.2 OUTLIER -103.77 150.42 24.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.852 0.358 . . . . 0.0 110.638 -179.94 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.523 ' N ' ' ND1' ' A' ' 29' ' ' HIS . 0.6 OUTLIER -101.84 82.94 2.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.55 179.889 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.77 50.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.616 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 t -46.97 153.82 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.142 -179.77 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.45 ' CZ ' ' ND1' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -115.75 140.48 49.17 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.115 179.487 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.619 HD23 ' C ' ' A' ' 33' ' ' LEU . 5.3 tt -132.45 118.04 18.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.607 -179.692 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.616 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -111.67 125.55 54.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.075 179.578 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.401 ' CZ ' ' N ' ' A' ' 53' ' ' GLY . 29.4 p90 -115.26 143.1 45.76 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.975 -179.664 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.484 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 1.2 mm-40 -128.69 156.98 42.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.317 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.738 HG11 ' CE1' ' A' ' 51' ' ' HIS . 7.0 t -129.09 127.67 66.11 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.863 -179.79 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -136.7 118.12 14.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.351 179.609 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.1 ttt-85 -87.13 135.91 33.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.644 -179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.612 HD22 ' N ' ' A' ' 40' ' ' LEU . 3.6 mm? -72.59 145.3 47.46 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -153.44 107.33 3.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.616 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.05 22.12 8.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.567 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.91 -12.95 66.8 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.7 m -89.0 138.59 31.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.78 0.324 . . . . 0.0 110.579 179.939 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.421 ' O ' ' OG ' ' A' ' 45' ' ' SER . 0.9 OUTLIER -86.62 112.1 21.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.492 -179.941 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.3 t -99.57 107.22 20.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.585 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -83.57 136.36 34.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.51 179.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 57.9 mtm -99.85 145.96 27.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.657 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.4 -50.12 7.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.574 -179.899 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -92.15 69.74 5.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.44 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.738 ' CE1' HG11 ' A' ' 37' ' ' VAL . 13.9 t-80 -168.51 -5.61 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.539 -179.865 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -103.06 170.71 7.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.495 -179.913 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.401 ' N ' ' CZ ' ' A' ' 35' ' ' TYR . . . -175.05 175.83 47.12 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.454 ' CE1' ' SD ' ' A' ' 13' ' ' MET . 18.2 p90 -149.87 152.81 35.7 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 110.271 -0.27 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.5 150.21 17.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 110.763 -179.876 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.55 ' ND1' ' N ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -100.58 164.43 11.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.246 179.828 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.464 ' CG ' ' N ' ' A' ' 58' ' ' GLN . 0.0 OUTLIER -86.83 -167.68 1.97 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.8 -179.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.464 ' N ' ' CG ' ' A' ' 57' ' ' ASN . 14.0 tp60 74.81 -59.74 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.57 179.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 56.68 166.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.602 -179.939 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.422 ' CG ' ' H ' ' A' ' 61' ' ' ASN . 1.4 tptp -75.86 -144.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.583 179.978 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.422 ' H ' ' CG ' ' A' ' 60' ' ' LYS . 1.2 m120 56.75 47.78 17.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.571 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.1 mt -60.48 -50.94 71.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.58 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.447 ' C ' ' H ' ' A' ' 65' ' ' GLY . 9.8 mp -53.06 -38.1 62.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.557 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 34.0 m -72.37 10.98 0.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.531 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.447 ' H ' ' C ' ' A' ' 63' ' ' LEU . . . 50.26 28.08 12.81 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -84.19 -4.3 58.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.776 0.322 . . . . 0.0 110.619 179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.429 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 31.8 p90 -75.17 144.74 42.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.576 179.957 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.27 44.45 3.0 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -134.77 105.52 6.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.865 0.364 . . . . 0.0 110.592 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.752 ' CE1' HD13 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -43.06 140.31 1.49 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.665 179.931 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -67.1 -21.15 65.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.582 -178.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.52 ' OE2' ' CZ3' ' A' ' 94' ' ' TRP . 2.1 tp10 -42.31 -58.53 2.15 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.879 -179.462 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.752 HD13 ' CE1' ' A' ' 70' ' ' HIS . 3.8 mp -63.66 -48.47 77.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.178 -179.692 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.1 mmm-85 -44.0 -28.51 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.413 -179.822 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -84.54 -49.89 8.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.305 179.673 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.3 tp -60.15 -19.48 54.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.454 179.689 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -72.77 -41.48 65.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.701 -179.276 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.0 pp -97.11 8.79 43.77 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.02 -179.544 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.573 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -63.62 -41.55 66.55 Favored Pre-proline 0 CA--C 1.533 0.313 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.888 179.781 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 34.5 Cg_exo -57.19 -18.8 31.18 Favored 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 122.145 1.897 . . . . 0.0 111.95 -179.914 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.21 -22.07 64.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.463 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.687 HD22 ' CE1' ' A' ' 51' ' ' HIS . 10.7 mt -71.29 -26.2 62.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.475 179.949 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 63.22 47.22 4.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.736 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.405 ' HG ' ' H ' ' A' ' 84' ' ' LEU . 74.9 mt -41.81 156.08 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.439 179.76 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -115.28 85.43 12.85 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.662 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -48.07 -13.93 0.25 Allowed 'Trans proline' 0 N--CA 1.493 1.475 0 C-N-CA 122.257 1.971 . . . . 0.0 112.229 -179.783 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.33 -18.7 51.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.342 179.819 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -138.63 -167.55 2.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.535 ' H ' HD12 ' A' ' 89' ' ' ILE . 0.9 OUTLIER -107.79 158.95 7.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.065 0.46 . . . . 0.0 110.587 179.803 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -140.1 163.78 31.79 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.798 179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -128.2 105.75 8.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.381 -179.955 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 79.1 t -95.18 111.3 25.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.285 179.801 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -98.97 118.74 36.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.757 -179.782 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.52 ' CZ3' ' OE2' ' A' ' 72' ' ' GLU . 17.6 m0 -100.92 132.28 46.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.73 179.879 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -123.11 102.72 8.13 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.361 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -113.42 134.18 56.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.695 -178.118 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.613 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 1.4 p -86.5 -26.49 24.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.904 178.888 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.47 ' CH2' ' O ' ' A' ' 28' ' ' ARG . 18.3 m95 -111.89 153.35 26.8 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.674 -179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.51 160.82 76.5 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.367 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -56.0 172.86 0.49 Allowed 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 122.58 2.187 . . . . 0.0 112.06 -179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.97 -74.06 0.63 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.605 -179.803 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.52 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -101.63 99.19 9.44 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.438 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.903 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 52.1 m -41.61 -30.18 0.21 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.985 -179.529 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 7.5 t90 -85.41 -23.92 27.72 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.731 -179.297 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -84.89 -62.15 1.7 Allowed Glycine 0 CA--C 1.525 0.682 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.223 -179.627 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . 0.832 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -72.92 -59.23 2.81 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 121.13 -0.228 . . . . 0.0 111.142 -179.651 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.903 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -62.33 -50.48 71.45 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.665 -179.877 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -48.96 -43.03 30.86 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.862 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.64 ' HG3' HD11 ' A' ' 73' ' ' LEU . 10.4 mm-40 -71.02 -37.01 72.61 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.093 179.702 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 106' ' ' CYS . 94.1 t -62.71 -62.95 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.436 179.672 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.552 ' NE ' HE21 ' A' ' 115' ' ' GLN . 0.1 OUTLIER -47.21 -51.72 17.77 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.331 -0.547 . . . . 0.0 109.577 179.866 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.55 ' N ' ' CG ' ' A' ' 111' ' ' ARG . . . -42.25 -44.88 3.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.423 -179.677 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -63.04 -33.18 74.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.706 179.729 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 111' ' ' ARG . 5.2 mt -76.13 -58.99 2.96 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.826 -0.35 . . . . 0.0 111.269 -179.521 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.552 HE21 ' NE ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -58.86 -14.08 7.99 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.726 -0.39 . . . . 0.0 110.241 179.996 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -103.19 -39.26 6.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.503 ' O ' ' N ' ' A' ' 119' ' ' HIS . 2.3 m120 -125.19 49.19 1.91 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.883 -179.801 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.437 ' C ' ' H ' ' A' ' 120' ' ' VAL . 1.6 t -45.71 -13.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.081 -179.814 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.508 ' CE1' ' CG2' ' A' ' 120' ' ' VAL . 10.2 p80 -76.23 17.63 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.05 0.453 . . . . 0.0 110.472 -179.951 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.508 ' CG2' ' CE1' ' A' ' 119' ' ' HIS . 42.2 t -140.14 138.3 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.384 179.822 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -91.3 148.49 22.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.111 179.766 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.497 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -129.81 112.39 13.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.815 -179.567 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.497 ' N ' HD13 ' A' ' 122' ' ' LEU . 11.3 mmt180 -114.05 118.95 35.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.788 179.385 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.401 HD12 HD21 ' A' ' 143' ' ' LEU . 7.7 mt -105.07 129.8 57.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.039 -179.36 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.521 ' CE1' ' OE2' ' A' ' 157' ' ' GLU . 66.6 m-85 -124.5 114.74 19.84 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.574 179.644 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -98.43 96.86 8.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.49 179.851 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.613 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -65.0 -37.62 88.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.675 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.702 ' NH1' ' H ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -138.56 134.01 33.3 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.727 -0.389 . . . . 0.0 110.726 -179.959 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.761 HD13 ' N ' ' A' ' 129' ' ' ILE . 0.0 OUTLIER -92.48 110.0 22.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.268 179.756 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -162.55 129.38 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.453 -179.848 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.478 ' C ' ' H ' ' A' ' 133' ' ' ASP . 29.1 p-10 -174.64 131.72 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.493 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -70.72 9.81 0.6 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.213 179.8 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.533 ' C ' ' H ' ' A' ' 135' ' ' LEU . 53.3 m-20 -119.63 85.62 33.14 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.506 -179.909 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.408 ' C ' ' H ' ' A' ' 136' ' ' TYR . 50.2 Cg_exo -50.43 -1.27 0.04 OUTLIER 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.639 2.226 . . . . 0.0 112.818 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.533 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.4 tp -69.48 4.66 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.8 0.333 . . . . 0.0 110.577 -179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.453 ' O ' ' HB3' ' A' ' 139' ' ' ALA . 6.9 p90 -56.99 -30.39 64.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.77 -179.909 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -57.7 -60.07 4.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.336 179.815 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -59.14 -23.57 62.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.301 179.763 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 136' ' ' TYR . . . -69.25 -34.35 74.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.564 179.893 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.0 mp -72.51 -43.77 63.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.65 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -74.69 -48.89 23.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.796 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.3 -54.6 20.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.701 -179.832 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.448 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 29.7 tp -61.56 -43.7 98.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.79 -179.777 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.471 ' C ' ' H ' ' A' ' 146' ' ' ALA . 36.8 ttp180 -47.4 -41.33 19.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.836 -179.768 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -63.22 2.28 0.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.711 -179.857 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.471 ' H ' ' C ' ' A' ' 144' ' ' ARG . . . -104.48 -24.21 13.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.652 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 102.9 -24.62 30.07 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -46.92 157.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.744 0.306 . . . . 0.0 110.603 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -95.7 124.76 39.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.524 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.645 ' O ' HG13 ' A' ' 150' ' ' VAL . 10.6 p -132.0 109.7 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.546 -179.875 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.11 162.02 41.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.608 179.97 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.93 139.09 19.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.516 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.585 ' SD ' ' CD1' ' A' ' 158' ' ' PHE . 9.2 ttm -49.8 148.4 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.634 -179.946 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.09 156.16 29.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.683 -179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.466 ' C ' ' CD1' ' A' ' 155' ' ' TYR . 11.6 t80 -43.35 -47.92 6.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.789 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.74 -46.16 77.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.574 -179.872 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.521 ' OE2' ' CE1' ' A' ' 125' ' ' PHE . 14.1 mt-10 -64.84 -41.61 95.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.727 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.585 ' CD1' ' SD ' ' A' ' 153' ' ' MET . 4.9 m-85 -51.99 -49.06 64.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.444 179.872 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 13.6 ttpt -57.28 -59.58 4.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.923 -179.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -43.03 -40.72 3.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.895 -179.771 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 165' ' ' PHE . 93.4 m -76.71 -64.32 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.883 -179.635 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 162' ' ' TRP . . . . . 0.488 ' CD1' ' C ' ' A' ' 162' ' ' TRP . 1.1 t-105 -44.33 -31.51 1.06 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.978 0.418 . . . . 0.0 110.584 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.13 -46.68 12.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.377 -179.761 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 30.7 m -86.91 -50.32 6.77 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -178.492 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.523 ' N ' ' O ' ' A' ' 161' ' ' CYS . 6.1 m-85 -74.54 12.8 0.71 Allowed 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.489 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 168' ' ' HIS . 1.0 OUTLIER -150.16 137.54 13.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.526 179.588 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' A' ' 169' ' ' GLN . 0.0 OUTLIER -69.85 65.99 0.24 Allowed 'General case' 0 C--O 1.232 0.148 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.717 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.741 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.3 OUTLIER -56.23 -8.23 0.46 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.609 -179.188 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . 0.42 ' H ' ' C ' ' A' ' 167' ' ' ASP . 25.7 mm-40 40.2 22.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.631 179.758 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . 0.741 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 100.34 32.66 5.42 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -179.742 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.521 ' N ' ' O ' ' A' ' 168' ' ' HIS . 9.2 t -116.31 84.56 14.49 Favored Pre-proline 0 C--N 1.331 -0.227 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 -179.871 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -47.95 164.28 0.18 Allowed 'Trans proline' 0 N--CA 1.493 1.456 0 C-N-CA 122.326 2.017 . . . . 0.0 112.195 -179.633 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -51.78 149.68 4.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.999 -179.459 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -116.95 85.99 18.83 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.344 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -77.14 131.9 12.25 Favored 'Trans proline' 0 C--N 1.314 -1.266 0 C-N-CA 122.068 1.846 . . . . 0.0 112.195 -179.519 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 13.2 p90 -100.18 167.4 10.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.632 -179.811 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.73 116.04 9.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.609 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 125.89 -27.71 5.08 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.821 -0.912 . . . . 0.0 110.821 -179.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.0 tt -43.05 -33.72 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.792 0.33 . . . . 0.0 110.533 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -66.89 -60.9 2.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.482 179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -55.14 -47.2 75.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.424 179.942 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 182' ' ' HIS . . . . . 0.482 ' O ' ' N ' ' A' ' 185' ' ' ALA . 68.8 m-70 -55.27 -62.56 1.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.539 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 39.4 p -43.87 -33.62 1.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.489 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -68.68 -35.45 77.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.431 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . 0.482 ' N ' ' O ' ' A' ' 182' ' ' HIS . . . -66.18 -48.23 71.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.438 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . 0.706 HD12 HD11 ' A' ' 129' ' ' ILE . 4.2 mm? -53.07 -47.34 68.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.032 179.745 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -27.07 68.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.106 179.604 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -68.16 -29.04 73.15 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.755 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 10.2 mtt85 -77.69 -61.72 1.9 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.85 0.357 . . . . 0.0 110.424 179.84 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 4.5 tt -54.29 -44.92 72.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.406 179.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -60.57 -43.1 97.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.601 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -49.25 -52.43 27.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.557 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . 0.509 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.6 mp -61.22 -56.6 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.489 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.3 mt -53.95 -16.96 2.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.483 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -137.14 91.85 2.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.514 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 196' ' ' ASN . . . . . 0.463 ' C ' ' H ' ' A' ' 198' ' ' GLY . 0.6 OUTLIER -100.45 176.93 5.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.691 -179.945 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 59.74 2.31 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.641 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . 0.463 ' H ' ' C ' ' A' ' 196' ' ' ASN . . . -104.37 81.04 0.32 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.986 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 61.6 t30 . . . . . 0 C--O 1.22 -0.467 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.563 -179.988 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mpt? . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -82.0 79.84 8.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.473 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.41 17.35 1.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.557 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.7 t 61.22 60.47 3.11 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.653 -179.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -74.03 153.88 47.19 Favored 'Trans proline' 0 C--N 1.307 -1.638 0 C-N-CA 122.698 2.265 . . . . 0.0 112.242 179.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -102.66 -165.79 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.588 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.3 m -136.88 -148.43 0.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.565 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 179.39 68.1 0.07 OUTLIER Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -50.21 117.13 2.9 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.836 2.357 . . . . 0.0 112.13 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.48 ' H ' HD11 ' A' ' 12' ' ' LEU . 6.2 tpt180 -161.02 96.96 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.527 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 7.3 t-160 46.93 86.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.486 -179.818 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.858 HD22 ' N ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -107.1 173.23 6.41 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.842 -179.96 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 13.6 ptp -91.14 163.03 14.42 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.228 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 53.0 m-20 -69.58 146.05 95.69 Favored Pre-proline 0 CA--C 1.535 0.385 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.745 -179.353 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.42 ' O ' ' OG1' ' A' ' 19' ' ' THR . 88.1 Cg_exo -40.32 -49.19 3.98 Favored 'Trans proline' 0 N--CA 1.49 1.296 0 C-N-CA 122.296 1.997 . . . . 0.0 112.004 179.342 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.559 ' CG ' ' N ' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -61.01 -54.33 46.19 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.408 -179.938 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.559 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 3.7 mm -48.58 -30.09 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.642 -179.692 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -81.77 -51.89 7.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.531 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.428 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -55.51 -33.69 63.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.444 179.976 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 16' ' ' HIS . 0.4 OUTLIER -72.59 -50.06 28.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.498 -179.969 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.503 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 26.5 m120 -67.18 -11.71 58.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.507 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 56.0 m-85 -133.22 26.09 4.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.527 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 19' ' ' THR . 0.2 OUTLIER -67.02 -14.37 62.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.556 -179.911 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.508 ' OD1' ' NH1' ' A' ' 128' ' ' ARG . 0.6 OUTLIER 63.88 128.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.453 179.997 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.628 ' N ' HH11 ' A' ' 128' ' ' ARG . . . 76.0 64.83 2.14 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.421 ' C ' HD12 ' A' ' 26' ' ' ILE . 1.1 pp -101.64 -175.85 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.802 0.334 . . . . 0.0 110.593 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -154.46 2.45 0.22 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.86 166.77 11.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.731 0.301 . . . . 0.0 110.512 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -100.96 93.07 5.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.545 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.7 tttt -173.09 52.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.361 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.766 HG22 ' CD2' ' A' ' 98' ' ' TRP . 3.2 p -46.85 162.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.987 -179.75 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.503 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -128.07 139.0 52.77 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.373 179.881 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.654 HD23 ' C ' ' A' ' 33' ' ' LEU . 6.3 tt -136.55 120.7 17.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.452 -179.763 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.59 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -113.73 110.28 19.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.245 179.632 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -92.93 134.5 35.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.82 -179.6 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.489 ' OE2' HG21 ' A' ' 164' ' ' THR . 3.6 tt0 -126.19 129.78 49.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.534 179.96 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.665 HG21 ' CE1' ' A' ' 51' ' ' HIS . 53.2 t -101.56 125.78 55.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.641 -179.916 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -133.05 127.12 33.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.523 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.5 ttm-85 -86.86 142.99 27.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.379 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mp -99.29 139.62 34.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.65 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -143.27 99.58 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.556 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 52.0 m-20 49.54 53.36 12.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.58 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.31 -27.1 2.85 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.0 m -69.68 120.93 16.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.783 0.325 . . . . 0.0 110.562 -179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 59.5 p -100.24 113.56 26.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.662 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 28.3 t -113.27 123.18 68.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.424 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.548 ' CD ' ' H ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -81.98 153.35 26.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.711 -179.842 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -102.95 147.01 27.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.52 179.899 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 49' ' ' ASP . 17.1 p-10 -93.99 -50.17 5.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.551 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.3 61.32 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.436 179.916 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.665 ' CE1' HG21 ' A' ' 37' ' ' VAL . 24.0 t-80 -170.27 25.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 -179.85 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 3.3 ptm180 -131.3 164.67 25.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.479 179.898 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -178.8 -175.39 45.81 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -149.21 164.09 35.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 0.0 110.812 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.8 mt -143.42 178.34 7.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.498 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.428 ' O ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -129.35 138.02 51.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.564 -179.957 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' A' ' 56' ' ' HIS . 0.8 OUTLIER -45.07 171.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.608 179.944 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -83.73 113.76 21.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.59 179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.59 -144.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.583 179.876 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 24.8 tptt -83.94 134.38 34.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.515 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.559 HD22 HD13 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -174.94 108.26 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.526 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.465 HD13 ' HA2' ' A' ' 65' ' ' GLY . 0.9 OUTLIER -76.17 -0.54 22.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.481 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.559 HD13 HD22 ' A' ' 61' ' ' ASN . 6.9 mp -50.3 -49.75 52.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.539 179.927 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 7.1 t -103.23 -3.91 25.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.544 179.843 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.465 ' HA2' HD13 ' A' ' 62' ' ' LEU . . . 104.44 34.32 3.65 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.501 ' O ' ' CG ' ' A' ' 66' ' ' PHE . 23.9 t80 53.26 85.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.7 0.286 . . . . 0.0 110.72 179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -117.34 119.96 36.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.558 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -82.93 85.11 1.52 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 32.8 mtm-85 -103.66 135.97 44.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.787 0.327 . . . . 0.0 110.788 -179.907 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.465 ' C ' ' N ' ' A' ' 72' ' ' GLU . 2.1 t60 -65.38 131.5 46.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.437 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -47.3 -15.11 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.436 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.465 ' N ' ' C ' ' A' ' 70' ' ' HIS . 2.5 tt0 -61.11 -57.42 12.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.584 179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.0 mt -50.25 -46.58 54.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.593 -179.886 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -56.36 -34.86 67.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.532 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -77.42 -42.72 35.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.537 -179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.2 mt -68.34 -20.15 64.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.655 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -78.19 -24.41 47.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 -179.538 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.674 ' C ' HD12 ' A' ' 78' ' ' LEU . 4.1 pp -109.52 6.02 23.71 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.798 0.332 . . . . 0.0 110.929 -179.76 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.591 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.0 OUTLIER -64.1 -41.21 60.25 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.749 179.907 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 23.7 Cg_exo -60.88 -19.17 60.95 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.356 2.037 . . . . 0.0 112.006 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.2 m -66.99 -24.83 66.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.587 -179.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.652 HD22 ' NE2' ' A' ' 51' ' ' HIS . 9.8 mt -73.57 -18.88 61.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.531 -179.849 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 56.11 45.58 23.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.452 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.6 mt -41.27 154.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.598 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.471 ' C ' ' H ' ' A' ' 87' ' ' ALA . 9.2 m-20 -116.69 85.03 16.22 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.508 179.913 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -49.84 -7.88 0.1 Allowed 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.331 2.021 . . . . 0.0 112.277 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.471 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -52.2 -17.28 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.477 179.875 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -139.83 -175.17 4.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.477 179.899 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.0 mm -92.54 155.32 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.605 -179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -145.03 168.81 19.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.672 -179.88 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -147.63 109.96 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.357 179.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -106.72 125.87 62.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.537 179.932 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.434 HG23 ' HB2' ' A' ' 123' ' ' ARG . 54.8 m -128.47 128.45 44.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.344 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.531 ' CH2' HG22 ' A' ' 110' ' ' VAL . 1.7 m0 -105.73 132.27 52.07 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.862 179.862 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -96.16 102.61 14.43 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 107.764 -1.198 . . . . 0.0 107.764 177.777 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -107.87 144.46 16.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.057 0.456 . . . . 0.0 112.051 -177.563 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.658 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 0.1 OUTLIER -96.94 -17.82 19.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.178 179.184 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.766 ' CD2' HG22 ' A' ' 31' ' ' THR . 23.9 m95 -115.26 143.68 44.88 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.538 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.22 156.96 90.09 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.422 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -42.08 163.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.313 -1.312 0 C-N-CA 122.253 1.968 . . . . 0.0 112.263 179.638 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 2.3 p -112.17 -52.09 2.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.142 179.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.487 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.2 OUTLIER -135.98 113.31 10.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.761 179.597 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 108' ' ' GLY . 2.3 m -43.66 -33.03 1.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.913 -179.683 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -84.52 -21.33 30.58 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.968 -179.747 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -86.15 -63.79 1.5 Allowed Glycine 0 CA--C 1.527 0.797 0 C-N-CA 120.394 -0.908 . . . . 0.0 110.965 179.847 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . 0.555 ' O ' HG23 ' A' ' 110' ' ' VAL . 1.3 m -79.2 -69.23 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.724 0.297 . . . . 0.0 111.053 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -57.48 -24.47 55.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.534 -179.746 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -67.87 -58.95 6.94 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 179.653 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 55.8 mm-40 -60.12 -22.08 62.36 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.879 0.371 . . . . 0.0 110.488 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 106' ' ' CYS . 57.3 t -71.03 -62.83 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.791 -179.908 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.557 ' NH2' ' CE ' ' A' ' 142' ' ' MET . 3.5 ptp180 -58.01 -38.04 75.42 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.215 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -53.36 -49.4 67.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.37 179.767 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.447 ' O ' ' N ' ' A' ' 117' ' ' ASN . 1.3 t80 -55.41 -53.28 58.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.607 179.897 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.42 ' CD2' ' O ' ' A' ' 120' ' ' VAL . 86.7 mt -58.88 -48.97 79.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.716 -179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -46.56 -35.75 6.12 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.345 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.417 ' O ' ' OD1' ' A' ' 117' ' ' ASN . 22.7 mt-10 -110.17 5.2 21.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.13 -179.882 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.46 ' C ' ' H ' ' A' ' 119' ' ' HIS . 28.6 m-80 -153.65 46.56 0.64 Allowed 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.952 -179.883 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 76.5 p -51.43 -10.59 0.1 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.713 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.645 ' CD2' HG23 ' A' ' 120' ' ' VAL . 0.1 OUTLIER -79.91 9.91 4.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.619 -179.919 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.645 HG23 ' CD2' ' A' ' 119' ' ' HIS . 74.2 t -126.9 129.54 71.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.481 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.511 ' CZ ' HH22 ' A' ' 123' ' ' ARG . 25.6 mtp180 -92.14 112.68 24.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.424 179.892 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.59 HD13 ' H ' ' A' ' 123' ' ' ARG . 0.1 OUTLIER -99.27 134.02 42.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.456 -179.795 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.59 ' H ' HD13 ' A' ' 122' ' ' LEU . 45.5 mtt-85 -131.84 133.14 44.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.567 179.899 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 28.5 mm -106.04 121.56 58.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.454 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -110.61 97.84 7.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.552 -179.821 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -90.34 108.24 19.65 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.181 179.675 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.658 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -84.58 -44.16 13.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.769 -179.673 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.628 HH11 ' N ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -132.31 138.82 47.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.866 0.365 . . . . 0.0 110.482 -179.917 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.3 mt -98.63 117.43 43.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.659 -179.893 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -157.59 118.86 3.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.483 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.3 -167.74 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.491 -179.986 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -104.9 -63.01 1.26 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.614 -179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.479 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.0 OUTLIER -99.69 162.6 20.62 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.434 -179.857 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -69.92 21.18 0.18 Allowed 'Trans proline' 0 C--N 1.308 -1.571 0 C-N-CA 122.599 2.199 . . . . 0.0 112.15 179.917 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.479 ' H ' ' C ' ' A' ' 133' ' ' ASP . 1.3 mt -57.07 -25.32 58.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.553 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.462 ' CD1' ' N ' ' A' ' 137' ' ' LYS . 0.6 OUTLIER -56.3 -20.61 19.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.516 -179.968 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.462 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 16.5 tttm -67.47 -60.21 2.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.449 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -56.03 -30.51 62.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.494 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -61.24 -56.06 24.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.526 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.9 mp -51.17 -44.73 61.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.494 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -60.71 3.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.666 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.557 ' CE ' ' NH2' ' A' ' 111' ' ' ARG . 13.3 mtp -54.7 -26.23 32.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.543 -179.901 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.571 ' CD1' ' HB3' ' A' ' 148' ' ' ALA . 0.2 OUTLIER -60.57 -60.85 3.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.473 179.769 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -55.82 -42.19 75.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.614 -179.891 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.35 -6.25 13.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.592 -179.941 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -102.2 -4.68 25.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.587 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 76.33 -12.29 10.32 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.571 ' HB3' ' CD1' ' A' ' 143' ' ' LEU . . . -56.79 161.68 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.848 0.356 . . . . 0.0 110.572 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.471 ' OE1' ' NH1' ' A' ' 123' ' ' ARG . 3.0 tt0 -101.29 112.75 25.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.589 -179.932 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.545 ' O ' HG13 ' A' ' 150' ' ' VAL . 8.0 p -111.46 125.38 68.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.544 -179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.5 m -153.18 161.92 41.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.593 179.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.507 HG12 HD12 ' A' ' 190' ' ' LEU . 3.5 mm -94.74 150.76 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.462 179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 11.0 ttm -52.14 152.36 3.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.75 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 12.2 t -136.27 -177.65 4.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.557 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -73.94 -41.53 61.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.778 -179.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -57.97 -60.92 2.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.827 -179.88 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.09 -25.16 44.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.62 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.555 ' CE1' ' CZ ' ' A' ' 173' ' ' PHE . 0.2 OUTLIER -64.02 -57.96 8.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.805 0.336 . . . . 0.0 110.658 -179.755 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -53.92 -45.82 71.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.093 -179.855 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.538 ' CD2' ' N ' ' A' ' 161' ' ' CYS . 0.3 OUTLIER -68.79 -58.19 4.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.786 0.326 . . . . 0.0 110.867 -179.595 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.538 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 18.0 t -55.61 -23.6 28.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.761 -179.872 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 162' ' ' TRP . . . . . 0.59 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 8.0 t-105 -71.69 -70.51 0.32 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.924 -179.666 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . 0.59 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 1.0 OUTLIER -62.85 -14.35 44.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.248 -179.472 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.489 HG21 ' OE2' ' A' ' 36' ' ' GLU . 90.3 m -84.79 -25.25 28.3 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.962 -179.709 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -121.3 19.34 11.43 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.882 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.514 ' C ' ' H ' ' A' ' 168' ' ' HIS . 96.3 t -142.7 135.5 26.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.896 0.379 . . . . 0.0 110.785 179.855 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . 0.49 ' C ' ' N ' ' A' ' 169' ' ' GLN . 4.0 p30 -73.94 38.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.731 179.519 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.676 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.2 OUTLIER -47.69 -13.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.334 -179.982 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . 0.49 ' N ' ' C ' ' A' ' 167' ' ' ASP . 14.7 mm-40 46.01 12.69 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.976 179.74 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . 0.676 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 124.67 29.63 1.04 Allowed Glycine 0 CA--C 1.527 0.818 0 N-CA-C 111.584 -0.606 . . . . 0.0 111.584 179.588 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.667 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.0 OUTLIER -113.4 92.28 22.64 Favored Pre-proline 0 CA--C 1.538 0.498 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.689 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -47.96 154.02 2.37 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.157 1.905 . . . . 0.0 112.275 -179.479 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.555 ' CZ ' ' CE1' ' A' ' 158' ' ' PHE . 37.6 t80 -55.82 149.58 14.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.735 -179.726 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -111.71 96.35 32.37 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.691 -179.605 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -78.63 145.16 20.34 Favored 'Trans proline' 0 N--CA 1.487 1.143 0 C-N-CA 121.906 1.737 . . . . 0.0 112.042 179.902 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 176' ' ' TRP . . . . . 0.712 ' HE1' ' CD2' ' A' ' 182' ' ' HIS . 0.9 OUTLIER -81.28 179.07 8.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.53 -179.848 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 177' ' ' ASP . 30.7 p-10 -92.5 85.68 5.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.653 -179.892 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 144.48 40.56 0.06 OUTLIER Glycine 0 CA--C 1.521 0.419 0 N-CA-C 110.25 -1.14 . . . . 0.0 110.25 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . 0.616 HD12 ' NE1' ' A' ' 176' ' ' TRP . 0.8 OUTLIER -70.73 -50.47 35.81 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.829 -179.425 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -61.62 -24.08 66.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.922 0.391 . . . . 0.0 110.462 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -70.02 -61.78 1.64 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.977 -179.88 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 182' ' ' HIS . . . . . 0.712 ' CD2' ' HE1' ' A' ' 176' ' ' TRP . 3.8 p80 -71.51 -37.35 71.24 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.92 -179.598 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . 0.553 ' N ' ' ND1' ' A' ' 182' ' ' HIS . 36.8 m -61.88 -57.7 10.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.6 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -33.63 67.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.509 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -54.43 -57.61 10.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.497 179.924 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . 0.475 HD11 HH21 ' A' ' 128' ' ' ARG . 40.3 mt -65.43 -47.32 76.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.651 179.943 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.13 -39.12 63.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.647 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -63.46 -48.17 80.73 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . 0.56 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 2.2 ttt180 -52.32 -57.46 9.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.844 0.354 . . . . 0.0 110.585 179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.507 HD12 HG12 ' A' ' 152' ' ' ILE . 1.0 OUTLIER -45.18 -55.2 6.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.428 -179.99 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -50.95 -31.74 18.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.477 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -65.38 -40.12 93.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.545 179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . 0.508 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -68.98 -37.56 77.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.542 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 60.2 mt -69.65 9.73 0.46 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.641 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . 0.479 ' H ' ' C ' ' A' ' 193' ' ' ILE . 13.3 mm100 -74.34 -53.05 10.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.556 179.937 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 196' ' ' ASN . . . . . 0.436 ' C ' ' NE2' ' A' ' 197' ' ' GLN . 11.2 t30 -93.96 130.75 39.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.505 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . 0.436 ' NE2' ' C ' ' A' ' 196' ' ' ASN . 1.1 mp0 -132.9 -14.49 2.73 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.566 -179.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 102.77 23.61 8.64 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 50.3 t-20 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.936 -1.03 . . . . 0.0 110.499 -179.978 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 mtm . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -96.71 -72.29 0.64 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.526 -179.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 47.21 -98.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.532 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.98 162.61 20.48 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.499 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -69.62 -65.77 0.04 OUTLIER 'Trans proline' 0 C--N 1.308 -1.56 0 C-N-CA 122.537 2.158 . . . . 0.0 112.108 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.49 99.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.53 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 83.6 p -102.07 69.01 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.585 -179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 167.8 -61.01 0.21 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_exo -45.78 96.89 0.03 OUTLIER 'Trans proline' 0 C--N 1.307 -1.644 0 C-N-CA 122.76 2.307 . . . . 0.0 112.137 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 67.0 mtm180 -149.5 109.6 4.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.54 -179.963 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.455 ' N ' ' CD2' ' A' ' 11' ' ' HIS . 0.3 OUTLIER -162.26 76.65 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.582 -179.997 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.5 ' CD1' ' N ' ' A' ' 12' ' ' LEU . 7.0 mp -95.2 172.99 7.78 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.228 -179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.5 mpp? -68.66 147.01 52.49 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.459 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.7 OUTLIER -70.36 146.73 94.62 Favored Pre-proline 0 CA--C 1.535 0.368 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.556 -179.487 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.418 ' O ' ' OG1' ' A' ' 19' ' ' THR . 85.7 Cg_exo -39.41 -49.09 3.2 Favored 'Trans proline' 0 N--CA 1.488 1.202 0 C-N-CA 122.251 1.967 . . . . 0.0 111.992 179.575 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 42.1 t60 -67.86 -47.91 67.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.043 -179.689 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.3 mm -54.53 -37.72 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.695 -179.821 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 39.2 t80 -72.19 -60.96 1.97 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.734 -179.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.7 OUTLIER -54.81 -28.63 50.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.53 -179.953 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 m -65.79 -52.36 51.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.44 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.55 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 18.8 m120 -57.1 -39.79 75.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.533 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -98.96 31.13 3.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.691 -179.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -71.61 71.64 0.72 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.447 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 42.21 -137.79 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.429 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.428 ' HA2' ' HE ' ' A' ' 128' ' ' ARG . . . -82.73 137.92 17.42 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.866 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.811 HD11 ' HE1' ' A' ' 98' ' ' TRP . 0.7 OUTLIER -136.03 166.91 25.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.844 0.354 . . . . 0.0 110.58 -179.865 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -99.59 -29.57 6.93 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.662 -0.975 . . . . 0.0 110.662 179.809 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.736 ' HE ' ' N ' ' A' ' 29' ' ' HIS . 0.0 OUTLIER -73.35 131.6 42.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 0.0 110.123 179.775 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.736 ' N ' ' HE ' ' A' ' 28' ' ' ARG . 47.4 p-80 -71.65 44.08 0.1 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.339 179.719 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.431 ' H ' ' C ' ' A' ' 28' ' ' ARG . 8.2 tttm -71.46 41.78 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.244 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 29' ' ' HIS . 2.2 p -46.99 114.71 0.9 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.62 -179.937 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.55 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -106.02 141.9 36.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.39 179.856 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.8 tp -135.58 109.63 8.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.522 -179.489 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.68 113.59 27.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.143 179.423 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 16.6 p90 -102.17 146.81 27.43 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.945 0.403 . . . . 0.0 111.236 -179.495 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.423 ' O ' ' OE2' ' A' ' 38' ' ' GLU . 0.2 OUTLIER -146.72 129.76 16.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.35 179.939 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.6 t -98.57 132.72 43.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-O 121.034 0.445 . . . . 0.0 110.626 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.496 ' OE1' ' NH1' ' A' ' 91' ' ' ARG . 0.9 OUTLIER -134.39 121.23 20.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.362 179.799 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -82.79 141.39 32.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.492 -179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mp -102.04 143.1 32.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.606 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.51 100.77 3.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.611 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.474 ' C ' ' H ' ' A' ' 44' ' ' THR . 11.0 m120 48.14 57.45 6.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.655 179.94 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.79 -27.07 0.93 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.474 ' H ' ' C ' ' A' ' 42' ' ' ASN . 0.2 OUTLIER -74.51 103.76 4.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.824 0.345 . . . . 0.0 110.585 -179.959 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.2 m -76.24 143.59 40.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.505 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.1 t -136.27 98.44 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.575 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.4 pttm -75.08 135.13 41.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.493 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.3 mmt -82.33 144.61 30.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.551 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -84.39 -50.52 7.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.684 -179.9 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.62 68.96 4.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.951 179.578 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.408 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 11.5 t-80 -163.88 14.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.513 -179.213 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -100.6 127.96 46.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.642 -179.701 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -148.41 158.21 27.59 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.533 -1.027 . . . . 0.0 110.533 179.839 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.527 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 4.1 p90 -140.65 142.14 35.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.93 0.395 . . . . 0.0 110.846 -179.756 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.2 mt -127.91 178.49 6.14 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.511 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -144.15 155.72 44.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.4 179.859 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.473 ' OD1' ' N ' ' A' ' 58' ' ' GLN . 15.9 t30 -71.24 147.88 47.78 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.45 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.473 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 0.0 OUTLIER 65.61 147.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.271 -179.801 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.422 ' N ' ' CD ' ' A' ' 58' ' ' GLN . . . -163.84 52.92 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.671 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 62' ' ' LEU . 44.5 mttt 43.89 -97.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.602 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.482 ' C ' ' H ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER 40.97 25.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.617 -179.939 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 60' ' ' LYS . 1.1 mt -51.26 -10.21 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.491 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.482 ' H ' ' C ' ' A' ' 61' ' ' ASN . 2.3 mm? -72.39 -50.97 22.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.449 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 86.4 m -102.21 -2.54 29.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.554 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.72 39.02 96.35 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.07 16.8 3.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.608 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.513 ' O ' ' NH1' ' A' ' 69' ' ' ARG . 33.0 p90 -102.94 161.68 13.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.588 -179.951 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.41 -8.54 41.02 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.921 -0.871 . . . . 0.0 110.921 -179.922 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.513 ' NH1' ' O ' ' A' ' 67' ' ' TYR . 21.4 mmt-85 -93.13 143.95 25.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.715 0.293 . . . . 0.0 110.594 179.904 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -74.93 152.38 38.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.699 -179.928 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.19 -27.24 13.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.404 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.434 ' OE2' ' SG ' ' A' ' 106' ' ' CYS . 39.3 mt-10 -63.75 -43.09 97.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.314 179.893 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 39.4 mt -66.69 -57.07 7.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.252 179.698 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -27.22 10.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.163 179.61 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.456 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 31.3 t80 -84.6 -40.16 17.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.379 179.784 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 tp -57.67 -21.1 38.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.472 179.832 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.04 -20.89 37.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.448 179.913 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.626 ' C ' HD23 ' A' ' 78' ' ' LEU . 0.4 OUTLIER -84.17 -33.65 24.16 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.2 -179.99 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.585 ' N ' HD23 ' A' ' 78' ' ' LEU . 4.6 t -46.17 -59.75 4.46 Favored Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.31 -179.836 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 6.5 Cg_endo -49.75 -17.07 1.79 Allowed 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 121.89 1.727 . . . . 0.0 112.229 179.803 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 t -69.73 -30.42 68.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.569 -179.854 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.557 HD22 ' N ' ' A' ' 82' ' ' LEU . 3.9 mm? -83.77 -39.4 20.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.471 179.695 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 58.45 41.01 23.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.702 -178.806 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.4 mt -38.66 107.23 0.06 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.52 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -41.61 105.28 0.39 Allowed Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.643 -179.711 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -48.11 -19.97 1.95 Allowed 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 121.829 1.686 . . . . 0.0 112.101 179.88 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -46.55 -88.73 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.644 -179.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.607 ' CD ' ' H ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -63.58 167.5 5.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.437 -179.86 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.2 mm -84.95 158.13 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.507 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -139.62 177.97 7.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.759 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.496 ' NH1' ' OE1' ' A' ' 38' ' ' GLU . 41.7 ttp85 -156.86 108.81 2.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.527 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 4.4 t -93.61 118.65 39.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.138 179.565 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.416 ' OG1' ' OE1' ' A' ' 38' ' ' GLU . 0.7 OUTLIER -93.95 122.16 36.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.557 -179.766 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.424 ' CH2' ' CG2' ' A' ' 110' ' ' VAL . 7.2 m0 -106.79 132.26 52.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.707 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.505 ' CG ' ' SG ' ' A' ' 161' ' ' CYS . 53.3 m-85 -125.92 103.14 7.6 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 178.614 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.37 143.7 19.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.776 -178.416 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.636 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 19.4 p -96.98 -33.69 11.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.099 179.388 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.811 ' HE1' HD11 ' A' ' 26' ' ' ILE . 7.6 m95 -111.85 136.66 50.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.265 -179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.03 157.7 1.37 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.916 -179.768 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -73.34 173.18 14.18 Favored 'Trans proline' 0 N--CA 1.493 1.495 0 C-N-CA 122.668 2.246 . . . . 0.0 112.215 179.5 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.629 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 1.8 p -103.49 -153.98 0.49 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.452 179.877 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.629 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.2 OUTLIER -36.88 113.02 0.22 Allowed 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 121.407 0.623 . . . . 0.0 109.932 179.466 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 108' ' ' GLY . 83.9 p -40.24 -24.9 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.056 -0.974 . . . . 0.0 110.907 -179.783 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.47 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.2 OUTLIER -86.1 -24.9 26.09 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.973 -179.109 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.4 -63.73 1.55 Allowed Glycine 0 CA--C 1.526 0.77 0 C-N-CA 120.32 -0.943 . . . . 0.0 110.874 -179.866 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . 0.434 ' SG ' ' OE2' ' A' ' 72' ' ' GLU . 2.1 m -78.87 -69.17 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.37 . . . . 0.0 111.052 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.407 ' HB3' ' HA ' ' A' ' 103' ' ' SER . . . -60.26 -22.4 63.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 -179.693 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -71.43 -63.05 3.21 Favored Glycine 0 CA--C 1.522 0.485 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -46.97 -35.25 6.35 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.402 -0.519 . . . . 0.0 109.716 179.599 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.424 ' CG2' ' CH2' ' A' ' 94' ' ' TRP . 29.3 t -72.83 -56.22 10.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.325 179.522 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -49.09 -53.34 21.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.064 179.813 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.84 -42.07 64.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.135 179.682 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.464 ' O ' ' N ' ' A' ' 117' ' ' ASN . 27.8 t80 -65.58 -32.61 74.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.693 179.859 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 mt -71.68 -58.91 3.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.728 -179.837 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.07 -13.57 48.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.643 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -103.21 -26.74 12.87 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.658 179.718 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.623 ' O ' HG12 ' A' ' 120' ' ' VAL . 4.2 m120 -138.11 49.47 1.94 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.865 -179.867 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.2 t -60.95 4.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.31 -179.761 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.523 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.1 OUTLIER -75.58 2.04 12.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.012 0.434 . . . . 0.0 110.16 179.8 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.623 HG12 ' O ' ' A' ' 117' ' ' ASN . 7.7 p -128.86 147.36 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.251 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.03 110.44 21.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.359 -179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.489 HD13 ' N ' ' A' ' 123' ' ' ARG . 0.2 OUTLIER -92.07 112.18 24.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.5 -179.801 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.489 ' N ' HD13 ' A' ' 122' ' ' LEU . 23.5 mtt-85 -116.21 117.69 30.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.03 179.679 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 5.0 mt -105.19 135.94 41.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.078 -179.368 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -129.13 98.12 4.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.718 179.561 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -82.37 114.84 21.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.985 179.571 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.636 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -82.44 -37.41 25.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.687 -179.737 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.428 ' HE ' ' HA2' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -143.67 145.77 32.71 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.95 179.877 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 1.6 mt -101.54 110.17 27.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.41 179.833 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -154.96 114.7 3.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.709 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -152.92 -147.04 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.367 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -106.8 -64.38 1.19 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.65 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.47 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.2 OUTLIER -104.0 161.35 23.2 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.463 -179.91 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.481 ' C ' ' H ' ' A' ' 136' ' ' TYR . 41.4 Cg_endo -70.2 17.8 0.22 Allowed 'Trans proline' 0 C--N 1.31 -1.492 0 C-N-CA 122.559 2.172 . . . . 0.0 111.9 179.835 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.627 HD13 ' HA ' ' A' ' 102' ' ' PHE . 1.3 mt -53.97 -7.41 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.625 -179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.481 ' H ' ' C ' ' A' ' 134' ' ' PRO . 0.5 OUTLIER -61.13 -32.04 71.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.659 179.924 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -70.28 -62.13 1.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.518 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.472 ' HB3' HD23 ' A' ' 135' ' ' LEU . 27.5 tt0 -50.12 -23.62 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.348 179.868 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -75.02 -43.49 53.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.424 179.78 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.58 ' O ' HD23 ' A' ' 140' ' ' LEU . 0.8 OUTLIER -59.31 -30.74 68.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.254 179.74 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.72 -56.27 3.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.664 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -31.57 66.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.607 -179.852 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 40.7 tp -82.09 -40.94 21.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.468 -179.853 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.32 -38.31 58.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.518 179.898 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -64.33 -8.2 12.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.559 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -95.31 -13.45 24.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.623 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 97.7 -26.96 21.03 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -42.16 139.43 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.67 0.271 . . . . 0.0 110.637 179.931 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -93.68 112.64 24.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.638 -179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.34 109.88 30.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.554 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.69 161.91 36.78 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.554 -179.927 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.52 HD12 ' N ' ' A' ' 152' ' ' ILE . 1.5 mp -82.21 137.9 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.462 179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 22.5 mmm -41.42 125.26 2.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.7 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 67.4 p -106.78 152.87 23.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.562 179.894 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -41.79 -54.15 3.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.507 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.04 -60.14 3.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.506 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -53.17 -31.17 41.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.539 -179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.86 -61.37 2.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.516 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -42.27 -47.8 4.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.103 -179.799 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.598 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.58 -58.02 4.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.192 -179.432 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.598 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 7.9 t -54.23 -23.54 15.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.639 -179.78 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 162' ' ' TRP . . . . . 0.634 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 4.1 t-105 -72.09 -70.15 0.35 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.552 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . 0.634 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.6 OUTLIER -61.48 -36.28 80.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.889 0.376 . . . . 0.0 110.782 -179.736 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 94.3 m -59.18 -27.04 65.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.268 -179.586 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -121.34 15.69 11.35 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.533 -179.374 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.567 HG12 ' N ' ' A' ' 168' ' ' HIS . 63.2 t -130.05 138.98 52.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.894 0.378 . . . . 0.0 111.002 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -76.78 34.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.173 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.592 ' CD2' ' N ' ' A' ' 169' ' ' GLN . 21.1 p-80 -37.48 -44.04 0.63 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.547 -179.805 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . 0.592 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 8.9 mm100 40.58 21.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.923 179.881 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 168' ' ' HIS . . . 136.63 14.31 0.91 Allowed Glycine 0 CA--C 1.528 0.887 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.706 179.706 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.421 ' H ' ' HB2' ' A' ' 168' ' ' HIS . 1.2 m -125.26 81.05 64.12 Favored Pre-proline 0 C--N 1.332 -0.174 0 CA-C-O 120.697 0.284 . . . . 0.0 110.297 179.825 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -51.83 172.33 0.14 Allowed 'Trans proline' 0 C--N 1.31 -1.48 0 C-N-CA 122.712 2.275 . . . . 0.0 112.316 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -53.51 149.74 7.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.747 -179.881 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -113.96 87.13 12.22 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.717 -179.709 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -79.65 131.34 9.25 Favored 'Trans proline' 0 C--N 1.313 -1.305 0 C-N-CA 122.096 1.864 . . . . 0.0 112.051 -179.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 14.8 p90 -100.88 173.69 6.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.6 -179.875 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -77.0 93.0 3.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.519 179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 148.15 -18.12 1.36 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.6 tp -47.0 -35.01 6.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.798 0.332 . . . . 0.0 110.556 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -59.36 2.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.535 -179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -46.32 -53.53 10.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.648 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -55.9 -47.41 77.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.599 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.62 -36.95 72.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.589 -179.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -68.58 -34.15 75.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.633 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -62.8 -65.21 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.593 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . 0.546 HD12 ' N ' ' A' ' 186' ' ' LEU . 10.4 mp -56.14 -45.6 79.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.568 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 49.0 m -55.85 -39.25 71.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.466 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -63.21 -36.65 93.71 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 10.2 ttt85 -60.23 -61.65 2.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.332 . . . . 0.0 110.496 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 3.7 tt -47.28 -47.38 25.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.563 179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -50.7 -42.26 56.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.593 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -59.19 -52.0 67.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . 0.502 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -53.97 -49.89 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.446 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.8 mp -56.01 -35.75 67.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.564 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . 0.4 ' O ' ' O ' ' A' ' 196' ' ' ASN . 7.5 tp60 -69.25 -5.83 25.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.504 -179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 196' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 195' ' ' GLN . 2.2 t-20 51.87 101.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.617 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 41.7 79.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.59 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -47.29 -74.38 0.25 Allowed Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.482 -179.877 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 46.36 89.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.583 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.36 -37.01 0.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.564 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.578 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.1 OUTLIER -71.19 -43.82 13.22 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.983 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 4' ' ' SER . 32.1 Cg_exo -58.56 -169.09 0.04 OUTLIER 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 122.464 2.11 . . . . 0.0 112.025 -179.871 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 60.9 121.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.608 -179.922 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.88 -60.3 0.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.509 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.95 178.14 46.86 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -73.12 157.79 50.13 Favored 'Trans proline' 0 C--N 1.306 -1.694 0 C-N-CA 122.843 2.362 . . . . 0.0 112.08 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.0 ptt-85 -150.66 176.32 11.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.641 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.71 ' C ' HD23 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -163.87 91.2 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.558 -179.931 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.872 ' N ' HD23 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -106.05 175.24 5.56 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.778 -179.754 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 35.6 mtm -60.5 165.32 3.8 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.734 -0.387 . . . . 0.0 110.54 -179.154 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.48 155.6 51.13 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.706 -179.381 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.428 ' O ' ' OG1' ' A' ' 19' ' ' THR . 74.1 Cg_exo -39.73 -55.54 1.63 Allowed 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 122.576 2.184 . . . . 0.0 112.435 179.704 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.9 t60 -62.79 -54.31 40.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.272 -179.474 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.3 mm -48.5 -29.94 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.631 -179.565 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -81.1 -57.73 3.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.693 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.514 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -51.33 -49.1 62.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.495 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -63.86 -43.65 95.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.514 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.623 HD21 ' CB ' ' A' ' 32' ' ' TYR . 16.5 t30 -64.44 -23.61 67.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.506 -180.0 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -118.5 15.33 13.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.421 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.514 ' N ' ' O ' ' A' ' 19' ' ' THR . 0.7 OUTLIER -56.64 108.17 0.46 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.657 -179.952 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -43.97 137.45 3.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.608 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.27 96.74 0.09 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 pt -140.31 171.59 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 110.595 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -158.95 61.54 0.31 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.526 ' O ' ' CZ2' ' A' ' 98' ' ' TRP . 0.1 OUTLIER -140.37 152.42 45.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 110.521 179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -91.07 81.02 5.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.434 179.903 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 18.3 tttm -167.03 42.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.513 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.416 HG22 ' CG ' ' A' ' 57' ' ' ASN . 10.9 t -46.5 150.97 0.6 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.993 -179.837 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.623 ' CB ' HD21 ' A' ' 21' ' ' ASN . 1.2 m-85 -108.05 147.46 31.13 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.422 179.722 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.628 HD23 ' C ' ' A' ' 33' ' ' LEU . 5.6 tt -136.84 114.33 10.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.493 -179.889 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.523 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -105.32 110.46 22.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.229 179.59 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.56 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 5.7 p90 -101.08 134.41 44.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.065 -179.722 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 1.8 tm-20 -123.51 152.86 41.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.057 179.855 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.661 HG21 ' CE1' ' A' ' 51' ' ' HIS . 30.2 t -119.4 123.21 70.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.871 0.367 . . . . 0.0 110.767 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -133.39 121.89 22.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.425 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -98.11 144.84 27.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.61 -179.919 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.57 HD11 ' HD3' ' A' ' 91' ' ' ARG . 22.8 mt -93.98 156.88 16.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.577 179.925 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -155.83 101.63 2.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.497 179.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 62.71 23.37 13.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.547 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 99.39 -6.85 59.58 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.5 m -91.61 124.38 35.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.763 0.316 . . . . 0.0 110.613 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.418 ' O ' ' OG ' ' A' ' 45' ' ' SER . 1.4 p -89.13 110.32 21.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.55 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 57.6 t -105.02 112.14 37.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.599 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.1 pttm -86.71 134.94 33.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.6 -179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.2 mtm -101.96 141.09 35.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.529 -179.903 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.8 -50.28 6.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.574 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -79.25 53.25 1.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.449 179.856 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.661 ' CE1' HG21 ' A' ' 37' ' ' VAL . 37.0 t-80 -169.18 46.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.528 -179.873 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.44 170.84 21.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.689 -179.882 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -173.3 -170.8 37.29 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.826 -0.909 . . . . 0.0 110.826 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -151.97 139.66 19.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.808 0.337 . . . . 0.0 110.729 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 mp -136.15 174.23 10.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.529 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.567 ' CD2' ' N ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -131.05 157.63 42.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.483 179.898 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.482 ' HB3' ' HB2' ' A' ' 71' ' ' ALA . 4.1 p-10 -78.27 -166.76 0.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.545 -179.912 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.504 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 7.1 tt0 78.9 -62.81 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.615 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 58' ' ' GLN . . . 70.09 -163.8 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.524 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -137.9 15.48 2.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.53 -179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -100.35 31.71 3.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.581 -179.969 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.19 -29.79 31.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.625 179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.8 pp -65.76 -16.32 63.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.571 -179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.457 ' O ' ' SG ' ' A' ' 64' ' ' CYS . 13.4 t -82.52 -12.78 57.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.537 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.66 49.18 1.85 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -143.7 18.78 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 0.0 110.574 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 67' ' ' TYR . 0.0 OUTLIER -42.27 140.27 1.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.559 179.947 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.82 55.2 0.94 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 27.8 mtp180 -105.09 135.24 46.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.766 0.317 . . . . 0.0 110.598 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 30.7 m170 -87.41 163.45 16.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.605 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.482 ' HB2' ' HB3' ' A' ' 57' ' ' ASN . . . -82.02 -37.96 25.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.572 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -61.48 -42.32 98.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.584 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.0 mp -62.05 -60.01 4.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.221 179.8 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.92 -28.14 6.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.977 179.652 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.56 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 17.3 t80 -80.74 -38.23 29.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.323 179.757 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.1 tp -57.66 -22.88 48.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.007 179.678 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -67.25 -16.07 64.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.686 179.687 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.9 tt -93.72 -13.4 27.5 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.56 -178.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.542 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -60.22 -42.87 91.82 Favored Pre-proline 0 CA--C 1.533 0.307 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.256 -179.105 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 23.5 Cg_exo -60.31 -25.73 80.95 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.215 1.943 . . . . 0.0 112.031 179.811 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.73 -9.16 41.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.819 -179.931 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.519 HD22 ' NE2' ' A' ' 51' ' ' HIS . 8.5 mt -104.39 -49.56 3.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.481 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 59.5 49.76 8.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.722 179.752 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 53.6 mt -53.66 133.24 41.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.488 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.75 160.35 27.56 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.397 -179.818 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -70.08 -2.07 9.79 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.533 2.156 . . . . 0.0 112.269 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -41.61 -37.99 1.27 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.588 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -151.98 -166.91 2.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.592 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.4 mt -99.55 155.98 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.062 0.458 . . . . 0.0 110.796 -179.859 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -137.01 154.06 50.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.726 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.57 ' HD3' HD11 ' A' ' 40' ' ' LEU . 25.3 mtm180 -142.66 106.06 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.65 -179.872 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 48.7 t -89.1 127.17 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.049 179.568 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.0 119.23 37.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.794 -179.715 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.537 ' CD1' HD21 ' A' ' 122' ' ' LEU . 16.4 m0 -100.35 131.71 46.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.057 0.456 . . . . 0.0 110.535 179.891 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -123.38 103.11 8.28 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 178.638 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.32 142.23 23.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.673 -178.343 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.584 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 0.3 OUTLIER -87.94 -24.21 23.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.698 179.105 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.526 ' CZ2' ' O ' ' A' ' 28' ' ' ARG . 19.4 m95 -112.24 -178.32 3.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.191 -179.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.622 ' HB3' HG23 ' A' ' 129' ' ' ILE . 0.0 OUTLIER -105.97 164.4 15.06 Favored Pre-proline 0 C--N 1.332 -0.178 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.548 179.95 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.43 ' O ' ' O ' ' A' ' 99' ' ' SER . 57.0 Cg_exo -42.45 172.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 122.605 2.203 . . . . 0.0 112.3 179.601 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -126.08 -50.95 1.55 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.402 179.837 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 105' ' ' GLY . 2.1 t80 -139.36 105.49 5.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.118 179.656 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.885 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 36.8 t -42.08 -33.71 0.62 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.974 -179.578 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -84.78 -22.99 29.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.102 -179.612 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -84.76 -62.2 1.71 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -67.04 0.54 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.714 0.292 . . . . 0.0 110.743 -179.883 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.885 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -53.27 -29.19 31.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.694 -179.868 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.49 -60.97 7.6 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 105' ' ' GLY . 2.0 mp0 -51.98 -59.75 3.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.836 0.351 . . . . 0.0 110.576 -179.932 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 40.7 t -52.46 -55.6 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.675 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 53.2 ttt-85 -42.33 -59.07 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.573 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -44.94 -47.03 11.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.553 -179.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 117' ' ' ASN . 1.1 t80 -55.54 -62.36 1.73 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.604 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 62.9 mt -46.37 -50.24 16.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.741 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -46.66 -43.42 17.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.688 -179.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -110.13 16.92 21.5 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.921 -179.888 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' A' ' 113' ' ' PHE . 29.2 m120 -148.22 31.1 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.803 179.878 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -45.68 -22.93 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.607 -179.944 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.692 ' CD2' HG23 ' A' ' 120' ' ' VAL . 0.0 OUTLIER -76.23 8.91 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.991 0.424 . . . . 0.0 110.38 179.812 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.692 HG23 ' CD2' ' A' ' 119' ' ' HIS . 43.1 t -132.09 116.43 29.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.428 179.833 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.3 147.07 23.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.549 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.537 HD21 ' CD1' ' A' ' 94' ' ' TRP . 0.6 OUTLIER -130.38 112.59 13.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.979 -179.701 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.502 ' C ' HD12 ' A' ' 124' ' ' ILE . 0.1 OUTLIER -95.61 123.2 39.05 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.241 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.502 HD12 ' C ' ' A' ' 123' ' ' ARG . 1.6 mp -104.92 129.03 58.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.828 -179.29 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.52 ' CE1' ' OE1' ' A' ' 157' ' ' GLU . 64.8 m-85 -125.37 108.13 11.37 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.907 179.783 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -93.79 109.49 21.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.077 179.418 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.584 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -76.97 -54.21 6.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.042 -179.562 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.62 ' CA ' ' HE ' ' A' ' 128' ' ' ARG . 0.0 OUTLIER -118.87 164.37 15.53 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.882 0.372 . . . . 0.0 110.73 -179.881 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.622 HG23 ' HB3' ' A' ' 99' ' ' SER . 18.1 mt -137.89 112.68 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.613 -179.88 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -151.95 110.08 3.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.632 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.426 ' OD2' ' O ' ' A' ' 133' ' ' ASP . 12.4 p-10 -172.36 142.3 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.591 179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -80.41 10.17 4.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.477 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.503 ' C ' ' H ' ' A' ' 135' ' ' LEU . 1.0 OUTLIER -121.07 81.93 36.44 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.497 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.524 ' O ' ' N ' ' A' ' 136' ' ' TYR . 52.0 Cg_exo -51.45 -4.76 0.1 OUTLIER 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 122.502 2.135 . . . . 0.0 112.325 -179.969 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.503 ' H ' ' C ' ' A' ' 133' ' ' ASP . 2.6 mt -40.43 -22.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.677 -179.953 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' A' ' 134' ' ' PRO . 0.0 OUTLIER -42.99 -33.45 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.584 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -56.06 -62.13 1.92 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.455 179.894 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -50.92 -32.67 21.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.275 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 136' ' ' TYR . . . -65.47 -41.0 93.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.431 179.854 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.54 ' O ' HD23 ' A' ' 140' ' ' LEU . 1.0 OUTLIER -57.72 -47.1 83.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.413 179.78 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.98 -41.39 64.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.542 179.89 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.0 -31.41 71.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.461 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 5.9 mt -69.68 -56.94 5.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.634 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 16.3 mtp85 -45.16 -50.59 11.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.577 -179.833 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -52.88 -33.25 49.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.583 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -74.84 -17.92 60.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.613 179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 100.42 -23.66 35.01 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -52.62 155.98 2.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.796 0.331 . . . . 0.0 110.668 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -98.9 135.81 39.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.496 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 3.2 t -126.77 123.56 63.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.589 -179.924 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.15 162.01 41.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.581 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 3.3 mm -89.8 134.06 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.495 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.551 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 9.3 ttt -54.32 118.73 4.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.603 179.96 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 29.5 p -102.02 163.81 12.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.67 -179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -47.08 -47.99 22.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.644 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -53.32 -56.84 13.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.513 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.52 ' OE1' ' CE1' ' A' ' 125' ' ' PHE . 22.4 mt-10 -54.29 -35.23 62.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.562 179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.551 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.7 OUTLIER -63.82 -39.93 95.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.526 179.916 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -59.0 -49.59 77.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.574 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.523 ' CD2' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.63 -51.15 37.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.508 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.523 ' N ' ' CD2' ' A' ' 160' ' ' HIS . 7.4 t -58.71 -23.53 59.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.682 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 162' ' ' TRP . . . . . 0.63 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 3.6 t-105 -72.46 -68.21 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.684 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . 0.63 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 1.3 p30 -64.34 -14.15 54.54 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.268 -179.465 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 99.9 m -86.61 -24.36 25.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.422 -179.396 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -121.08 15.96 11.58 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.551 0.215 . . . . 0.0 111.202 -179.588 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.528 ' C ' ' H ' ' A' ' 168' ' ' HIS . 92.1 t -134.46 127.47 50.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.748 179.44 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . 0.488 ' C ' ' H ' ' A' ' 169' ' ' GLN . 14.2 t70 -70.21 41.97 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.896 179.102 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.603 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.4 OUTLIER -54.12 -8.17 0.18 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.224 -179.953 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . 0.488 ' H ' ' C ' ' A' ' 167' ' ' ASP . 2.6 mt-30 56.9 3.64 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.821 -179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . 0.603 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 124.52 28.3 1.2 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.397 -0.681 . . . . 0.0 111.397 179.681 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.541 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 0.0 OUTLIER -109.64 127.71 26.69 Favored Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.764 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -75.96 171.99 17.12 Favored 'Trans proline' 0 N--CA 1.493 1.47 0 C-N-CA 121.802 1.668 . . . . 0.0 112.162 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.5 ' CD2' ' O ' ' A' ' 173' ' ' PHE . 0.4 OUTLIER -126.45 116.71 21.55 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.423 179.867 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.402 ' O ' ' CE1' ' A' ' 173' ' ' PHE . 12.3 mm-40 -82.77 152.73 66.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.23 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.13 155.78 63.93 Favored 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 122.142 1.895 . . . . 0.0 112.081 179.903 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 176' ' ' TRP . . . . . 0.462 ' O ' ' N ' ' A' ' 178' ' ' GLY . 14.8 p90 -100.0 142.8 30.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.552 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -49.59 91.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.533 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 176' ' ' TRP . . . 156.66 -35.46 0.58 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . 0.566 ' O ' HD23 ' A' ' 179' ' ' LEU . 1.0 OUTLIER -42.7 -43.28 3.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 110.514 179.999 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -55.38 -57.05 13.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.536 -179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -65.41 -60.64 2.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.488 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -44.37 -43.74 7.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.524 -179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 27.3 t -55.99 -51.55 67.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.526 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.67 -30.02 67.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.507 179.914 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -75.15 -64.91 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.511 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 4.0 mt -57.55 -59.99 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.498 179.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 3.6 t -52.9 -53.06 54.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.443 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -54.05 -25.66 32.26 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.911 -0.875 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -68.87 -61.58 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 110.502 -179.947 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.7 tp -55.47 -21.7 17.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.567 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -76.91 -40.02 48.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.609 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . 0.516 ' O ' ' NE2' ' A' ' 195' ' ' GLN . . . -68.21 -55.14 13.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.514 -179.931 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . 0.456 HG23 ' N ' ' A' ' 194' ' ' LEU . 5.9 tt -56.99 -39.22 64.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.547 179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.516 ' O ' ' N ' ' A' ' 196' ' ' ASN . 1.8 tp -96.65 14.14 25.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.535 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . 0.516 ' NE2' ' O ' ' A' ' 192' ' ' ALA . 24.5 mm-40 62.12 -71.47 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.593 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 196' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 194' ' ' LEU . 0.7 OUTLIER -149.39 155.82 41.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.543 179.987 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -86.91 15.18 6.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.583 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -141.75 81.39 0.24 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 11.9 m120 . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.074 -0.965 . . . . 0.0 110.596 179.998 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 mmt . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -160.83 -171.76 3.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.57 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 53.0 97.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.615 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.569 ' N ' ' CD ' ' A' ' 5' ' ' PRO . 0.0 OUTLIER -88.06 -43.83 0.48 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.919 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 4' ' ' SER . 28.7 Cg_exo -58.84 158.01 26.26 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.44 2.093 . . . . 0.0 111.973 -179.815 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.4 ' H ' ' H ' ' A' ' 7' ' ' SER . . . -175.42 -15.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.611 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.4 ' H ' ' H ' ' A' ' 6' ' ' ALA . 19.0 p 57.01 -145.7 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.551 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -103.32 -176.66 26.34 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -49.4 144.33 18.36 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.772 2.315 . . . . 0.0 112.145 -179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.451 ' C ' ' CG ' ' A' ' 11' ' ' HIS . 9.5 mmt85 -96.83 -117.52 0.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.514 179.94 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.451 ' CG ' ' C ' ' A' ' 10' ' ' ARG . 0.3 OUTLIER -152.28 34.33 0.52 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.695 -179.998 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.506 ' CD1' ' N ' ' A' ' 12' ' ' LEU . 6.9 mp -94.69 168.8 10.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.247 -179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 14.2 mtm -63.29 132.91 53.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.106 179.555 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -56.63 144.0 66.37 Favored Pre-proline 0 CA--C 1.536 0.412 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.43 -179.428 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.401 ' O ' ' OG1' ' A' ' 19' ' ' THR . 72.1 Cg_exo -40.42 -55.13 2.0 Allowed 'Trans proline' 0 N--CA 1.491 1.354 0 C-N-CA 122.151 1.901 . . . . 0.0 112.284 179.684 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -58.57 -50.98 71.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.997 -179.561 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.3 mm -48.93 -55.33 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.679 -179.754 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 28.7 t80 -51.23 -57.68 8.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.618 -179.946 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -55.35 -64.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.73 -179.729 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.516 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 0.3 OUTLIER -46.44 -28.04 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.749 -179.843 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.429 ' OD1' ' CD1' ' A' ' 32' ' ' TYR . 2.9 t30 -83.19 -36.18 24.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.616 -179.901 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -100.76 16.76 23.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.618 -179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.767 ' H ' HD22 ' A' ' 23' ' ' ASN . 0.0 OUTLIER -63.6 101.15 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.556 179.915 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -41.35 132.48 2.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.587 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.43 25.89 7.15 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.939 -0.865 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.08 177.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.809 0.337 . . . . 0.0 110.611 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.409 ' H ' ' CD ' ' A' ' 28' ' ' ARG . . . 166.7 56.62 0.03 OUTLIER Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.955 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.793 ' HE ' ' H ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -155.64 150.11 26.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.804 0.335 . . . . 0.0 110.647 179.971 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 66.0 m80 -56.58 82.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.538 -179.952 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.513 ' N ' ' O ' ' A' ' 28' ' ' ARG . 1.9 ttpt -157.1 26.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.589 -180.0 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.82 HG22 ' CD2' ' A' ' 98' ' ' TRP . 11.1 p -47.16 135.38 10.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.76 -179.905 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.429 ' CD1' ' OD1' ' A' ' 21' ' ' ASN . 2.7 m-85 -108.56 144.97 35.53 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.668 179.878 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 34' ' ' CYS . 10.0 tp -139.73 112.19 7.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.326 -179.933 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.404 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -108.39 122.92 47.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.293 179.635 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.495 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 14.7 p90 -113.05 137.7 51.03 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.805 -179.653 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -123.11 154.95 37.91 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.473 179.805 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.641 HG21 ' CE1' ' A' ' 51' ' ' HIS . 54.7 t -127.63 122.03 58.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.59 179.862 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.759 ' OE2' HD12 ' A' ' 40' ' ' LEU . 3.1 tm-20 -131.55 132.59 44.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.351 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.427 ' O ' ' OE2' ' A' ' 38' ' ' GLU . 55.5 ttp180 -87.94 132.7 34.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.716 -179.729 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.759 HD12 ' OE2' ' A' ' 38' ' ' GLU . 1.2 mp -88.42 122.71 32.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.426 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.69 106.13 5.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.608 179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.479 ' C ' ' H ' ' A' ' 44' ' ' THR . 88.8 m-20 49.16 52.12 14.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.69 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.17 -27.02 1.0 Allowed Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.928 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.479 ' H ' ' C ' ' A' ' 42' ' ' ASN . 1.2 m -72.38 115.27 11.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.761 0.315 . . . . 0.0 110.461 179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.92 111.27 23.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 -179.974 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.706 ' O ' HG23 ' A' ' 46' ' ' VAL . 25.1 m -101.58 105.48 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.546 179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -74.53 140.4 44.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.513 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.2 mmt -89.68 150.74 22.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.619 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -93.93 -50.15 5.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.547 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -103.1 76.33 1.45 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.458 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.641 ' CE1' HG21 ' A' ' 37' ' ' VAL . 55.1 t-80 -171.52 -3.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.516 -179.879 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.416 ' H ' ' H ' ' A' ' 51' ' ' HIS . 8.8 ptt180 -101.66 170.8 7.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.53 179.999 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -171.78 -178.46 42.12 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.502 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 8.1 p90 -152.14 146.18 25.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 0.0 110.749 179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.7 mp -133.67 178.41 6.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.458 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.629 ' C ' ' HB2' ' A' ' 71' ' ' ALA . 3.3 p80 -146.5 147.23 30.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.706 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.692 ' ND2' ' H ' ' A' ' 71' ' ' ALA . 0.8 OUTLIER -40.3 151.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.636 -179.905 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -108.96 99.44 8.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.528 179.913 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -102.42 127.39 49.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.503 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.84 -66.0 1.09 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.611 -179.877 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 63.66 23.7 13.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.859 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.1 mp -86.97 -58.13 2.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.444 HD23 ' N ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -89.47 -51.22 5.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.429 -179.529 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.491 ' C ' ' H ' ' A' ' 66' ' ' PHE . 2.2 t -82.21 -2.08 51.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.005 -179.281 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.68 -4.25 1.61 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.491 ' H ' ' C ' ' A' ' 64' ' ' CYS . 5.5 t80 -168.1 34.46 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.758 0.313 . . . . 0.0 110.807 179.919 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 0.2 OUTLIER -87.7 111.97 21.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.487 -179.971 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.91 150.4 21.17 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.05 145.45 51.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.836 0.35 . . . . 0.0 110.714 -179.845 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.478 ' NE2' HD12 ' A' ' 73' ' ' LEU . 0.3 OUTLIER -64.43 135.04 55.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.782 179.889 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.692 ' H ' ' ND2' ' A' ' 57' ' ' ASN . . . -64.24 -31.03 72.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.633 -179.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.434 ' OE1' ' SG ' ' A' ' 101' ' ' CYS . 15.5 mt-10 -42.39 -37.87 1.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.071 -179.684 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.478 HD12 ' NE2' ' A' ' 70' ' ' HIS . 1.1 mt -64.92 -55.81 17.04 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.385 -179.761 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -44.18 -42.59 6.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.403 -179.912 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.495 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 56.2 t80 -58.37 -56.27 24.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.126 179.704 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -53.94 -19.92 5.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.37 179.533 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.14 -46.76 27.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.588 -179.357 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 pp -84.85 -9.12 58.45 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.873 -179.59 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.421 ' N ' ' HD2' ' A' ' 80' ' ' PRO . 2.6 t -55.97 -55.91 36.24 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.234 179.746 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.421 ' HD2' ' N ' ' A' ' 79' ' ' VAL . 20.3 Cg_endo -61.45 -17.59 54.48 Favored 'Trans proline' 0 N--CA 1.495 1.59 0 C-N-CA 121.471 1.448 . . . . 0.0 111.913 179.923 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.4 p -64.86 -13.68 57.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.684 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.509 HD22 ' NE2' ' A' ' 51' ' ' HIS . 12.2 mt -82.37 -20.7 36.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.445 -179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.76 35.73 0.8 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 179.75 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.0 mt -60.22 149.55 32.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.379 179.848 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -138.01 162.71 52.55 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.571 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.85 -6.14 18.51 Favored 'Trans proline' 0 N--CA 1.493 1.5 0 C-N-CA 122.548 2.165 . . . . 0.0 112.008 179.832 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.549 ' HB1' HE22 ' A' ' 88' ' ' GLN . . . -41.01 -74.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.592 -179.854 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.549 HE22 ' HB1' ' A' ' 87' ' ' ALA . 0.5 OUTLIER -106.77 167.4 9.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.557 179.959 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.3 mm -89.17 155.27 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.668 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -141.34 168.13 20.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.62 -179.896 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -132.6 112.34 11.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.573 -179.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.425 ' HB ' HD22 ' A' ' 122' ' ' LEU . 94.1 t -96.36 113.24 30.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.268 179.846 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.4 m -104.53 119.75 39.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.782 -179.819 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 27.6 m0 -100.61 131.07 46.71 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.002 0.43 . . . . 0.0 110.506 179.733 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.487 ' CG ' ' SG ' ' A' ' 161' ' ' CYS . 4.9 m-85 -118.58 103.14 9.44 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 178.308 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.42 140.94 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.76 -177.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.629 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 2.8 p -92.44 -22.79 19.42 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.93 179.106 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.82 ' CD2' HG22 ' A' ' 31' ' ' THR . 12.8 m95 -111.05 152.41 26.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.488 -179.628 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.675 ' OG ' HG23 ' A' ' 129' ' ' ILE . 0.6 OUTLIER -60.64 160.64 18.04 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.47 179.932 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -67.82 129.11 19.07 Favored 'Trans proline' 0 C--N 1.308 -1.553 0 C-N-CA 122.401 2.067 . . . . 0.0 112.175 179.788 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.541 ' O ' ' N ' ' A' ' 103' ' ' SER . 0.5 OUTLIER -79.79 -164.04 0.61 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.272 179.932 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.507 ' O ' ' N ' ' A' ' 104' ' ' TRP . 0.1 OUTLIER -40.24 91.91 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 121.464 0.65 . . . . 0.0 110.008 -179.829 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.868 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 0.6 OUTLIER -39.42 -23.87 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.164 -0.925 . . . . 0.0 111.041 -179.403 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.507 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -69.11 -35.54 76.55 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.585 -178.742 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -71.24 -62.45 3.5 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 120.302 -0.952 . . . . 0.0 110.841 -179.96 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -77.53 -68.44 0.62 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.521 0.201 . . . . 0.0 111.472 -179.628 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.868 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -49.08 -32.78 10.32 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 121.016 -0.274 . . . . 0.0 111.27 -179.213 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -67.34 -62.95 4.04 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.658 -0.977 . . . . 0.0 110.658 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.472 ' OE2' HD21 ' A' ' 73' ' ' LEU . 3.1 mm-40 -53.65 -34.27 58.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.978 0.418 . . . . 0.0 110.019 179.7 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 69.8 t -71.07 -46.34 67.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.217 179.563 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.2 ttt85 -49.75 -59.12 4.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.949 179.732 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.54 -40.7 62.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.106 179.614 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 117' ' ' ASN . 7.9 t80 -54.17 -56.07 21.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.305 179.731 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.7 mp -59.89 -48.95 79.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.429 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -46.7 -29.29 1.82 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.17 179.823 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -110.36 -9.29 14.63 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.994 -179.837 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.576 ' O ' HG22 ' A' ' 120' ' ' VAL . 10.6 m120 -139.83 47.57 1.83 Allowed 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.008 -179.725 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.18 1.93 0.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.868 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.459 ' H ' ' C ' ' A' ' 117' ' ' ASN . 5.4 p80 -84.36 15.72 3.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.616 179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 117' ' ' ASN . 5.2 m -136.63 143.83 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.539 179.685 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.72 148.6 22.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.169 179.944 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.425 HD22 ' HB ' ' A' ' 92' ' ' VAL . 0.2 OUTLIER -130.73 112.53 13.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.579 -179.664 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.494 ' NH1' ' OE1' ' A' ' 149' ' ' GLN . 4.5 mtm-85 -115.17 128.87 56.46 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.335 179.815 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 37.8 mm -105.76 125.39 61.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.967 -179.605 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -120.48 103.45 9.19 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.549 179.213 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -93.58 110.13 21.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.244 179.759 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.629 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -80.86 -55.79 4.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.874 -179.722 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.632 ' CA ' ' HE ' ' A' ' 128' ' ' ARG . 0.0 OUTLIER -118.98 151.67 37.76 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.771 0.319 . . . . 0.0 110.517 -179.944 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.675 HG23 ' OG ' ' A' ' 99' ' ' SER . 51.5 mt -114.13 109.1 27.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.607 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -142.42 115.45 8.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.507 179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -169.06 158.21 8.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.605 -179.887 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.18 -24.04 32.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.522 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 135' ' ' LEU . 0.7 OUTLIER -135.02 73.31 66.04 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.389 179.942 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -49.82 77.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 123.002 2.468 . . . . 0.0 112.541 -179.85 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.539 ' N ' ' O ' ' A' ' 133' ' ' ASP . 1.4 pp -93.22 4.83 53.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.385 179.747 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.512 ' CG ' ' N ' ' A' ' 137' ' ' LYS . 25.1 p90 -44.52 -46.18 9.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.564 -179.799 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.512 ' N ' ' CG ' ' A' ' 136' ' ' TYR . 0.8 OUTLIER -42.4 -42.81 3.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 0.0 110.182 179.82 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.07 -39.78 75.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.445 179.761 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -62.27 -45.24 94.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.538 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.523 ' HG ' HG21 ' A' ' 150' ' ' VAL . 7.7 mp -55.3 -55.03 36.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.494 179.938 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -64.9 -58.46 6.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.577 179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.5 -34.98 12.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.645 -179.935 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.527 ' O ' ' HB3' ' A' ' 146' ' ' ALA . 40.6 tp -81.43 -34.16 31.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.493 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 12.1 ttp85 -51.62 -40.96 60.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.518 -179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -71.16 3.5 3.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.619 179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 143' ' ' LEU . . . -99.36 -24.07 14.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.659 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 97.62 24.83 11.49 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.479 ' HB3' ' HG ' ' A' ' 143' ' ' LEU . . . -97.63 177.18 5.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.681 0.277 . . . . 0.0 110.582 179.916 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . 0.494 ' OE1' ' NH1' ' A' ' 123' ' ' ARG . 11.0 mt-30 -123.1 136.2 54.7 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.54 179.99 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . 0.523 HG21 ' HG ' ' A' ' 140' ' ' LEU . 23.0 m -132.03 128.7 59.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.639 179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.5 t -153.27 162.04 41.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.547 179.904 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.1 tp -88.29 142.45 12.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.438 179.937 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.586 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 35.4 ttm -44.2 151.3 0.25 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.575 -179.913 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 6.0 p -132.31 171.17 14.05 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.579 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -64.63 -53.55 45.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.666 -179.912 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -51.54 -49.16 62.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.501 -179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -61.13 -36.24 79.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.645 -179.921 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.586 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.1 OUTLIER -56.87 -40.98 77.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.715 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.87 -42.71 80.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 -179.825 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.489 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.5 OUTLIER -67.49 -57.93 5.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.702 -179.913 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.489 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 1.2 t -56.32 -23.59 38.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.906 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 162' ' ' TRP . . . . . 0.621 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 5.4 t-105 -71.76 -70.42 0.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.939 -179.62 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . 0.621 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.2 OUTLIER -61.86 -14.4 33.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.277 -179.52 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 96.8 m -83.47 -28.22 28.9 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.21 -179.533 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -121.07 18.67 11.65 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.129 -179.619 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.62 HG21 ' CE3' ' A' ' 162' ' ' TRP . 74.9 t -130.58 145.65 35.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.951 179.665 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -73.27 35.48 0.08 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 178.701 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.717 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 1.1 t60 -43.38 -60.45 1.71 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.947 -179.849 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . 0.627 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 25.8 mt-30 42.67 15.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.08 179.633 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . 0.717 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 143.54 0.9 1.09 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 179.88 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.62 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 0.9 OUTLIER -113.69 88.54 13.95 Favored Pre-proline 0 CA--C 1.533 0.295 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.797 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -78.59 143.92 19.43 Favored 'Trans proline' 0 C--N 1.314 -1.276 0 C-N-CA 122.074 1.849 . . . . 0.0 112.407 -179.205 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.507 ' CE1' ' O ' ' A' ' 174' ' ' GLN . 1.1 t80 -86.07 125.85 33.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.622 -179.891 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.507 ' O ' ' CE1' ' A' ' 173' ' ' PHE . 22.4 mt-30 -93.91 156.31 39.41 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -70.06 162.9 40.48 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.324 2.016 . . . . 0.0 112.127 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 176' ' ' TRP . . . . . 0.434 ' CD1' ' C ' ' A' ' 176' ' ' TRP . 12.3 p90 -120.5 152.93 37.36 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.41 179.973 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . 0.5 ' N ' ' OD1' ' A' ' 177' ' ' ASP . 0.8 OUTLIER -57.84 91.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.506 -179.942 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 139.27 -14.12 3.26 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.2 tt -54.11 -37.7 64.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.32 . . . . 0.0 110.585 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.94 -57.31 3.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.619 -179.89 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -50.41 -50.51 51.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.644 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -54.8 -62.97 1.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.628 -179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 3.4 m -49.07 -45.6 43.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.572 -179.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -62.65 -31.61 72.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.621 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -70.32 -65.1 0.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.581 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 2.6 mt -47.34 -48.29 25.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.589 -179.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 10.8 p -53.37 -50.75 64.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.624 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -50.01 -41.95 38.28 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . 0.49 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 0.0 OUTLIER -61.82 -61.56 2.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.546 -179.959 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.1 tp -49.34 -51.22 35.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.459 -179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 13.3 mmt85 -51.47 -34.15 34.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.44 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -63.08 -48.84 76.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.479 179.903 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . 0.525 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -60.17 -36.81 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.476 179.915 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 5.0 mt -64.8 -22.65 67.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.568 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 49.19 44.86 23.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.56 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 196' ' ' ASN . . . . . 0.505 ' N ' ' OD1' ' A' ' 196' ' ' ASN . 1.1 m-20 57.5 163.91 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.551 -179.994 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -71.04 -51.77 23.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.549 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -85.0 154.41 29.08 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.574 -179.991 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -77.14 112.36 13.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.619 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 4' ' ' SER . . . -88.98 -29.89 19.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.494 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 3' ' ' ALA . 0.3 OUTLIER 55.85 162.83 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.572 -179.947 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -70.77 -166.18 0.21 Allowed 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.593 2.195 . . . . 0.0 112.062 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -149.76 129.09 12.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.646 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.03 159.6 14.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.499 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.407 ' H ' ' HD2' ' A' ' 9' ' ' PRO . . . -137.81 -71.44 0.05 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.882 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.407 ' HD2' ' H ' ' A' ' 8' ' ' GLY . 55.9 Cg_endo -72.29 76.51 2.21 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.797 2.331 . . . . 0.0 112.138 -179.844 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' HB2' HD21 ' A' ' 12' ' ' LEU . 8.6 mmt180 -137.88 -171.87 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.596 179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.668 ' C ' HD23 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -132.59 87.06 2.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.402 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.896 ' N ' HD23 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -104.34 173.21 6.4 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -179.636 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.3 ptp -61.9 162.89 8.34 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.363 -179.294 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.79 157.57 60.42 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.312 -178.843 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.437 ' O ' ' OG1' ' A' ' 19' ' ' THR . 53.5 Cg_exo -44.04 -56.42 2.49 Favored 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 122.564 2.176 . . . . 0.0 112.72 179.568 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -52.02 60.79 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.082 -179.263 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.2 mm -48.79 -42.95 13.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.624 -179.714 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -70.95 -60.92 1.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.842 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.0 OUTLIER -47.92 -57.96 5.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.422 -179.933 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.427 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 2.2 t -52.1 -36.24 50.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.479 179.914 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.623 ' ND2' ' CG ' ' A' ' 32' ' ' TYR . 9.0 t30 -80.66 -9.1 59.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.533 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -133.23 24.52 4.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.682 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.507 ' N ' ' O ' ' A' ' 19' ' ' THR . 14.8 p-10 -65.09 109.78 2.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.506 179.887 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.518 HD22 ' CD2' ' A' ' 182' ' ' HIS . 1.4 m-20 -42.34 128.06 3.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.514 -179.991 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.66 108.48 0.54 Allowed Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.941 -0.863 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -147.12 -166.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 110.637 -179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -177.59 -14.79 0.02 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.47 ' O ' ' CD2' ' A' ' 29' ' ' HIS . 0.0 OUTLIER -176.36 120.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 0.0 110.578 179.949 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.47 ' CD2' ' O ' ' A' ' 28' ' ' ARG . 32.9 m-70 -164.47 -82.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.505 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -179.74 104.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.519 -179.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.752 HG22 ' CG ' ' A' ' 98' ' ' TRP . 35.6 p -47.17 139.89 5.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 -179.878 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.623 ' CG ' ' ND2' ' A' ' 21' ' ' ASN . 0.2 OUTLIER -120.6 149.09 43.0 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.403 179.908 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.0 tp -143.27 111.84 6.38 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.659 -179.801 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.21 115.72 31.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.998 179.271 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.425 ' CE1' ' C ' ' A' ' 53' ' ' GLY . 28.9 p90 -108.64 148.9 29.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.002 0.43 . . . . 0.0 111.276 -179.316 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -135.95 160.04 39.82 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.1 179.403 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.736 HG21 ' ND1' ' A' ' 51' ' ' HIS . 11.6 t -126.71 126.45 68.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.571 -179.891 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -139.61 134.05 31.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.695 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -103.05 142.13 34.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.331 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 mp -101.23 140.57 35.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.714 -179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -146.44 100.46 3.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.467 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 57.36 35.39 25.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.549 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 90.47 -5.67 82.49 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.3 m -90.91 102.53 15.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.765 0.316 . . . . 0.0 110.585 179.976 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 75.0 m -89.5 107.45 19.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.594 179.935 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 40.7 t -100.13 125.06 53.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.643 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.33 137.8 32.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.494 179.961 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.8 mtm -101.4 136.05 41.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.702 -179.923 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.21 -50.35 8.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.608 -179.965 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.66 65.91 9.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.352 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.852 ' HE2' HD22 ' A' ' 82' ' ' LEU . 5.0 t-80 -170.29 -9.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.437 -179.623 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -101.2 170.94 7.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.746 -179.88 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.425 ' C ' ' CE1' ' A' ' 35' ' ' TYR . . . 179.71 -172.24 43.93 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.742 -0.943 . . . . 0.0 110.742 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 11.3 p90 -147.5 142.41 26.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.788 0.328 . . . . 0.0 110.786 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.7 mt -128.47 178.44 6.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.517 179.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -149.33 161.82 41.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.504 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.44 ' O ' ' CB ' ' A' ' 58' ' ' GLN . 4.5 t30 -68.19 157.18 35.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.611 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.44 ' CB ' ' O ' ' A' ' 57' ' ' ASN . 4.1 tp-100 76.65 -64.79 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.573 -179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 53.3 173.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.568 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 12.5 mtpp -103.63 68.89 0.95 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.626 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.449 ' ND2' HH12 ' A' ' 74' ' ' ARG . 3.9 m120 -137.19 60.18 1.66 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.617 179.937 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 63' ' ' LEU . 0.3 OUTLIER -86.32 9.41 17.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.553 179.908 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.428 ' N ' HD12 ' A' ' 62' ' ' LEU . 4.0 mp -48.34 -50.89 28.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.535 -179.939 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.93 4.97 22.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.563 179.942 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.488 ' C ' ' H ' ' A' ' 67' ' ' TYR . . . 86.47 33.04 14.46 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.72 19.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.71 0.29 . . . . 0.0 110.585 -179.977 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.488 ' H ' ' C ' ' A' ' 65' ' ' GLY . 2.6 m-85 -76.25 132.44 39.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.683 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.47 7.31 30.26 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.502 ' HE ' HD12 ' A' ' 73' ' ' LEU . 4.7 mmp_? -95.69 145.2 25.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 0.0 110.528 179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.611 ' N ' ' CD2' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -81.19 155.63 26.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.553 -179.988 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.56 -28.96 67.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.433 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -62.33 -50.48 71.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.612 179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.502 HD12 ' HE ' ' A' ' 69' ' ' ARG . 22.5 mt -63.7 -51.82 63.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.585 -179.921 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.449 HH12 ' ND2' ' A' ' 61' ' ' ASN . 39.8 ttt85 -55.2 -36.22 65.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.666 -179.922 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -70.91 -50.64 32.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.715 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.6 tp -64.59 -19.73 65.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.619 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.37 -33.15 69.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.289 -179.495 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.664 ' C ' HD12 ' A' ' 78' ' ' LEU . 3.7 pp -101.39 8.06 42.39 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.921 -0.311 . . . . 0.0 111.046 -179.597 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.569 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 0.9 OUTLIER -63.58 -41.58 67.04 Favored Pre-proline 0 CA--C 1.533 0.293 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.808 179.854 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 27.4 Cg_exo -59.08 -17.69 39.62 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.212 1.941 . . . . 0.0 111.774 179.877 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.4 p -62.56 -9.01 7.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.675 -179.901 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.852 HD22 ' HE2' ' A' ' 51' ' ' HIS . 20.3 mt -95.26 -46.16 6.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.287 -179.824 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 72.36 47.5 0.27 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.871 179.705 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.402 HD13 ' CD2' ' A' ' 90' ' ' TYR . 17.2 mt -64.6 127.71 32.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.314 179.714 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.31 160.48 27.43 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.634 -179.777 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -71.51 -11.97 28.84 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.611 2.208 . . . . 0.0 112.09 179.832 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.515 ' O ' ' NE2' ' A' ' 88' ' ' GLN . . . -40.82 -35.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.616 -179.871 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.515 ' NE2' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -138.5 171.39 14.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.481 -179.957 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.737 HD12 ' N ' ' A' ' 89' ' ' ILE . 1.7 mp -90.19 147.21 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.419 179.929 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.402 ' CD2' HD13 ' A' ' 84' ' ' LEU . 36.3 m-85 -124.37 156.72 36.57 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.51 179.904 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -146.55 102.07 3.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.538 -179.853 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.3 t -92.68 133.42 34.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.459 179.932 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.56 117.8 34.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.571 -179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.571 ' CD1' HD21 ' A' ' 122' ' ' LEU . 17.8 m0 -100.19 132.61 45.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.062 0.458 . . . . 0.0 110.414 179.838 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.582 ' CE2' ' SG ' ' A' ' 161' ' ' CYS . 49.7 m-85 -126.0 103.02 7.52 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 178.555 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.08 143.21 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.086 -177.871 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.67 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 6.3 p -95.89 -26.96 15.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.473 178.889 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.752 ' CG ' HG22 ' A' ' 31' ' ' THR . 13.6 m95 -111.99 132.06 55.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.992 179.702 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.9 OUTLIER -57.34 141.73 77.27 Favored Pre-proline 0 CA--C 1.537 0.475 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.42 -179.559 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.423 ' O ' ' O ' ' A' ' 99' ' ' SER . 50.3 Cg_exo -43.27 173.06 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.387 0 C-N-CA 122.027 1.818 . . . . 0.0 112.384 179.733 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.572 ' SG ' ' N ' ' A' ' 102' ' ' PHE . 26.3 p -107.04 -119.41 0.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.994 179.454 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.572 ' N ' ' SG ' ' A' ' 101' ' ' CYS . 0.2 OUTLIER -70.19 108.54 4.19 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.87 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.712 ' OG ' ' HB2' ' A' ' 139' ' ' ALA . 71.7 m -40.74 -27.23 0.05 Allowed 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.159 -179.426 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.406 ' N ' ' O ' ' A' ' 102' ' ' PHE . 4.1 t90 -85.57 -23.83 27.47 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.783 -179.418 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.36 -63.15 1.59 Allowed Glycine 0 CA--C 1.527 0.782 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 179.784 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.43 -69.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.734 0.302 . . . . 0.0 111.018 -179.876 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -59.3 -42.12 90.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.845 -179.551 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -53.5 -45.01 67.52 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.868 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -69.43 -26.2 64.49 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.704 -0.398 . . . . 0.0 110.752 -179.926 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 66.6 t -81.97 -63.57 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.844 -179.872 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.94 -36.0 7.15 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.658 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.73 -47.35 63.38 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 179.411 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -45.79 -39.7 8.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.022 179.401 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.458 ' C ' ' N ' ' A' ' 116' ' ' GLU . 10.4 mp -72.45 -51.15 21.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.143 179.562 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -46.74 -17.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.026 179.577 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.458 ' N ' ' C ' ' A' ' 114' ' ' LEU . 2.2 tp10 -106.82 -32.4 7.96 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.71 179.928 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.553 ' O ' HG12 ' A' ' 120' ' ' VAL . 5.1 m120 -138.28 59.35 1.65 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.769 -179.788 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.35 1.55 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.055 -179.874 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.489 ' H ' ' C ' ' A' ' 117' ' ' ASN . 0.0 OUTLIER -76.23 5.75 6.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.762 0.315 . . . . 0.0 110.638 -179.944 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.553 HG12 ' O ' ' A' ' 117' ' ' ASN . 13.1 p -130.94 132.08 63.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.547 179.791 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -91.6 144.0 25.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.4 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.571 HD21 ' CD1' ' A' ' 94' ' ' TRP . 0.8 OUTLIER -131.44 122.98 27.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.887 -179.833 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.455 ' C ' HD12 ' A' ' 124' ' ' ILE . 8.5 mtp85 -112.26 123.73 50.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.23 179.626 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.477 ' N ' HD12 ' A' ' 124' ' ' ILE . 1.7 mp -105.56 127.47 60.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.653 -179.609 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -121.52 98.22 5.87 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.604 179.786 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -75.51 111.82 11.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.248 179.819 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.67 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -85.39 -46.95 10.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.647 -179.801 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.491 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.0 OUTLIER -132.14 142.02 49.34 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.845 0.355 . . . . 0.0 110.658 179.948 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.445 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 0.3 OUTLIER -98.41 132.89 42.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.529 179.944 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.445 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 0.2 OUTLIER 177.77 116.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.658 179.993 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.475 ' C ' ' H ' ' A' ' 133' ' ' ASP . 0.4 OUTLIER -177.94 136.32 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.511 179.948 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -70.32 10.1 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.527 179.911 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.501 ' C ' ' H ' ' A' ' 135' ' ' LEU . 21.6 m-20 -120.63 81.12 32.11 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.663 -179.932 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.505 ' C ' ' H ' ' A' ' 136' ' ' TYR . 51.8 Cg_exo -49.47 -6.69 0.07 OUTLIER 'Trans proline' 0 N--CA 1.493 1.468 0 C-N-CA 122.476 2.118 . . . . 0.0 112.273 -179.858 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.501 ' H ' ' C ' ' A' ' 133' ' ' ASP . 3.4 mp -54.9 -5.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.651 179.966 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.505 ' H ' ' C ' ' A' ' 134' ' ' PRO . 44.9 t80 -41.95 -32.32 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.894 0.378 . . . . 0.0 110.556 -179.922 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -68.46 -61.55 1.78 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.352 179.81 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -47.88 -30.29 4.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.389 179.732 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.712 ' HB2' ' OG ' ' A' ' 103' ' ' SER . . . -69.16 -46.76 66.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.306 179.881 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 2.0 tp -52.01 -40.35 60.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.381 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -77.79 -42.2 34.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.479 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.76 -27.21 62.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.503 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.472 ' O ' ' N ' ' A' ' 146' ' ' ALA . 6.4 mt -81.39 -49.23 10.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.672 -179.899 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 32.9 ttt180 -45.34 -43.05 10.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.542 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -66.63 -23.44 66.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.526 -179.928 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -82.51 -22.84 34.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.529 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 101.65 -15.5 57.12 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -58.26 156.02 10.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.855 0.36 . . . . 0.0 110.57 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -97.14 134.77 40.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.622 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -132.03 115.2 26.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.552 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.4 t -153.07 162.28 41.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.619 -179.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.486 HD12 ' N ' ' A' ' 152' ' ' ILE . 1.6 mp -84.6 133.88 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.41 179.936 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.541 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 2.6 ttt -41.23 130.59 2.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.728 -179.845 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.28 164.56 11.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.642 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . 0.429 ' C ' ' CD1' ' A' ' 155' ' ' TYR . 29.4 t80 -52.9 -52.13 58.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.711 -179.949 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.88 -61.04 2.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.759 -179.843 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -56.23 -48.47 76.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.705 -179.848 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.541 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 0.2 OUTLIER -41.49 -38.65 1.34 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.797 -179.873 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 22.0 tttp -74.54 -60.89 2.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.796 -179.614 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.434 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -47.3 -49.55 23.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.844 -179.73 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.582 ' SG ' ' CE2' ' A' ' 95' ' ' PHE . 0.8 OUTLIER -65.16 -50.29 66.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.811 -179.766 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 162' ' ' TRP . . . . . 0.618 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 2.8 t-105 -43.64 -65.66 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.107 -179.568 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . 0.618 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -62.09 -49.67 75.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.125 -179.511 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 96.9 m -55.02 -16.86 3.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.518 -179.232 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -121.28 18.65 11.48 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.562 -179.543 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.709 ' C ' HD12 ' A' ' 12' ' ' LEU . 24.8 t -146.18 138.9 20.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.115 179.649 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.85 39.54 0.07 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.155 0.502 . . . . 0.0 109.688 178.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.561 ' CD2' ' N ' ' A' ' 169' ' ' GLN . 32.6 p-80 -44.74 -51.35 9.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.468 -179.703 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . 0.561 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 43.9 mm-40 40.34 32.6 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.533 -179.904 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . . . . . . . . . . . 142.0 0.35 1.48 Allowed Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.431 ' H ' ' HB2' ' A' ' 168' ' ' HIS . 6.2 m -115.19 82.55 9.12 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.578 0.189 . . . . 0.0 110.589 179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -78.0 152.86 28.48 Favored 'Trans proline' 0 C--N 1.312 -1.375 0 C-N-CA 122.211 1.941 . . . . 0.0 112.357 -179.491 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -62.72 149.7 43.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.965 -179.699 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -140.99 148.09 50.63 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.026 179.658 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -73.14 134.04 20.55 Favored 'Trans proline' 0 N--CA 1.494 1.535 0 C-N-CA 122.046 1.831 . . . . 0.0 112.127 179.904 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -97.17 -173.69 2.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.382 179.781 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -88.14 86.73 7.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.584 179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 146.24 -9.95 1.52 Allowed Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.0 tt -51.12 -30.39 16.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.854 0.359 . . . . 0.0 110.465 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -76.58 -61.4 1.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.553 -179.977 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -51.92 -52.37 50.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.487 -179.869 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 182' ' ' HIS . . . . . 0.518 ' CD2' HD22 ' A' ' 24' ' ' ASN . 45.0 m-70 -53.47 -56.06 20.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.536 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 38.7 t -50.72 -49.86 56.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.577 -179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -56.97 -33.69 67.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.52 -179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -67.85 -63.46 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.558 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 186' ' ' LEU . 9.6 mp -57.26 -59.1 5.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.556 179.986 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 1.5 t -50.0 -36.11 27.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.526 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -62.45 -45.39 96.0 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.935 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 1.3 mmm180 -55.29 -57.76 10.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 110.531 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.414 HD13 ' CD1' ' A' ' 152' ' ' ILE . 2.0 tp -48.96 -49.06 42.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.458 179.929 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 195' ' ' GLN . 1.6 ttm180 -45.74 -49.3 14.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.566 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -56.2 -52.07 65.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.555 179.952 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 77.0 mt -60.1 -63.19 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.516 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.5 tp -60.46 -19.64 57.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.517 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 191' ' ' ARG . 0.1 OUTLIER 55.95 97.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.618 179.943 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -150.51 -169.48 3.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.556 -179.929 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -164.45 -52.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.534 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -88.83 145.33 18.65 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.537 179.989 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.5 mtm . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -71.85 109.67 5.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.554 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.416 ' O ' ' O ' ' A' ' 4' ' ' SER . . . -140.01 26.85 2.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.588 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.416 ' O ' ' O ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER 55.8 162.72 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.417 179.953 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.408 ' O ' ' O ' ' A' ' 6' ' ' ALA . 41.7 Cg_endo -70.24 135.92 30.46 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.579 2.186 . . . . 0.0 112.086 179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 5' ' ' PRO . . . 47.7 -176.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.591 -179.96 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.5 t -94.92 -38.63 10.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.588 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.14 65.68 1.62 Allowed Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -45.79 101.81 0.04 OUTLIER 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.846 2.364 . . . . 0.0 112.074 179.947 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.48 -69.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.563 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 69.93 121.71 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.527 -179.882 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.478 ' CD1' ' N ' ' A' ' 12' ' ' LEU . 6.2 mp -98.56 172.98 7.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.149 -179.895 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 4.4 mtm -63.04 132.13 50.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.173 179.815 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -58.12 143.16 79.23 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.349 -179.603 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.432 ' O ' ' OG1' ' A' ' 19' ' ' THR . 87.0 Cg_exo -39.51 -55.46 1.58 Allowed 'Trans proline' 0 N--CA 1.489 1.25 0 C-N-CA 122.148 1.898 . . . . 0.0 112.386 179.775 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -57.97 -54.27 48.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.92 -179.723 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.0 mm -48.88 -43.16 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.755 -179.768 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -66.84 -61.08 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.855 -179.732 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -53.75 -64.32 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.679 -179.854 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.6 t -42.43 -61.19 1.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.733 -179.911 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.453 ' ND2' ' CD1' ' A' ' 32' ' ' TYR . 22.1 t-20 -50.73 -36.73 37.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.655 -179.838 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -100.87 16.5 24.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.454 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.524 ' N ' ' O ' ' A' ' 19' ' ' THR . 1.1 t-20 -42.25 112.78 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.51 -179.959 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -40.48 93.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.586 -179.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 23' ' ' ASN . . . 106.42 108.67 3.32 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.918 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.452 ' C ' HD12 ' A' ' 26' ' ' ILE . 1.2 pp -133.82 -174.88 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-O 120.706 0.288 . . . . 0.0 110.511 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 177.92 16.26 0.03 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.778 ' NE ' ' H ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -103.18 144.41 31.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.469 179.978 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -66.62 79.59 0.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.452 179.866 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -163.33 39.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.637 -179.831 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.731 HG22 ' CD2' ' A' ' 98' ' ' TRP . 1.7 p -47.02 157.81 0.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.055 -179.888 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.453 ' CD1' ' ND2' ' A' ' 21' ' ' ASN . 0.4 OUTLIER -127.14 143.93 51.15 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.386 179.66 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.62 HD23 ' N ' ' A' ' 34' ' ' CYS . 5.1 tt -137.06 118.09 14.32 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.318 -179.948 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.62 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -107.19 122.08 45.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.575 179.919 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 35' ' ' TYR . 22.7 p90 -109.17 141.83 40.83 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 -179.772 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.429 ' OE1' ' N ' ' A' ' 37' ' ' VAL . 1.9 tm-20 -144.26 129.16 18.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.19 179.804 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.429 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 0.5 OUTLIER -98.36 137.47 25.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.095 0.474 . . . . 0.0 110.94 -179.698 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.43 ' OE1' ' OG1' ' A' ' 93' ' ' THR . 2.5 mp0 -135.75 129.13 32.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.176 179.737 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -94.22 140.65 29.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.623 -179.761 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.72 HD12 HG21 ' A' ' 89' ' ' ILE . 59.5 mt -100.12 149.4 23.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.559 179.803 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -148.88 104.56 3.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.616 -179.874 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 55.18 24.94 6.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.59 179.85 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 102.91 -24.0 31.98 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 89.3 m -68.74 127.89 34.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.825 0.345 . . . . 0.0 110.516 179.987 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.59 118.99 32.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.641 -179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 18.1 t -121.59 102.66 12.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.47 179.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -77.17 146.32 37.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.596 -179.84 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -92.15 144.84 25.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.754 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.64 -50.39 5.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.453 179.862 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.08 66.02 7.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.173 179.608 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.782 ' NE2' HD12 ' A' ' 82' ' ' LEU . 57.8 t-80 -171.17 13.2 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.403 -179.418 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -100.98 143.02 31.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.598 -179.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -161.89 172.46 38.05 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.512 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 1.9 p90 -145.59 147.26 31.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.845 0.355 . . . . 0.0 110.645 -179.92 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.427 HD22 ' O ' ' A' ' 54' ' ' PHE . 2.2 mm? -119.21 178.4 4.53 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.322 179.896 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 40.4 p-80 -130.88 153.08 49.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.577 -179.936 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -58.58 149.22 26.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.728 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.428 ' HB2' ' H ' ' A' ' 69' ' ' ARG . 11.9 mm-40 -102.07 141.03 35.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.467 179.91 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.465 ' H ' HD21 ' A' ' 61' ' ' ASN . . . -139.71 -99.57 0.16 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.664 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -100.12 105.0 16.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.601 -179.897 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.465 HD21 ' H ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -152.94 110.88 3.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.525 179.978 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -66.35 0.84 1.88 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.412 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.411 ' H ' ' C ' ' A' ' 61' ' ' ASN . 10.4 mp -49.67 -50.91 41.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.537 179.956 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.87 -9.96 19.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.63 179.962 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.473 ' O ' ' CD1' ' A' ' 67' ' ' TYR . . . 111.22 49.9 0.64 Allowed Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.428 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 4.1 t80 77.26 -38.64 0.3 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.785 0.326 . . . . 0.0 110.602 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' A' ' 65' ' ' GLY . 49.2 m-85 -42.11 157.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.463 179.957 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -141.23 161.21 26.88 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.428 ' H ' ' HB2' ' A' ' 58' ' ' GLN . 48.9 mtt180 -138.46 132.43 31.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.722 0.296 . . . . 0.0 110.457 179.927 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.734 ' H ' ' CD2' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -53.81 138.4 35.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.003 -179.936 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -41.16 -39.3 1.26 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.553 -179.554 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -63.97 -39.31 93.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.482 179.808 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' A' ' 70' ' ' HIS . 74.2 mt -72.2 -40.47 67.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.653 -179.875 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -49.98 62.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.556 -179.86 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.419 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 14.4 t80 -66.27 -37.15 84.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.575 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.71 -19.92 62.71 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.465 179.888 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -78.24 -23.36 47.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.246 -179.552 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 pp -114.31 9.04 16.88 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.721 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.578 ' N ' ' CD ' ' A' ' 80' ' ' PRO . 1.1 t -60.05 -41.15 83.29 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.647 179.74 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 79' ' ' VAL . 14.8 Cg_exo -66.14 -17.32 54.61 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.415 2.077 . . . . 0.0 111.938 179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.6 t -59.18 -27.6 65.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.606 -179.933 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.782 HD12 ' NE2' ' A' ' 51' ' ' HIS . 3.6 mm? -71.85 -39.32 69.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.473 -179.965 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.482 ' CB ' ' O ' ' A' ' 82' ' ' LEU . 3.8 tt0 80.61 45.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.967 -179.37 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.5 mt -38.08 155.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.264 -179.687 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 0.6 OUTLIER -122.54 85.44 48.51 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.106 179.822 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -46.88 -8.71 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.455 0 C-N-CA 122.3 2.0 . . . . 0.0 112.47 -179.683 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 85' ' ' ASP . . . -45.57 -23.77 0.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.53 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.52 ' O ' ' NE2' ' A' ' 88' ' ' GLN . 0.0 OUTLIER -142.03 -170.65 3.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.704 -179.965 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.72 HG21 HD12 ' A' ' 40' ' ' LEU . 1.7 mp -90.77 144.07 9.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.588 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.444 ' CD2' ' NE2' ' A' ' 88' ' ' GLN . 2.7 m-85 -133.55 161.3 34.99 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.592 179.658 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.3 ttm180 -142.73 109.68 5.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.434 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.503 ' O ' HD23 ' A' ' 122' ' ' LEU . 5.9 t -88.95 116.12 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.467 179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.43 ' OG1' ' OE1' ' A' ' 38' ' ' GLU . 1.3 m -92.55 116.4 28.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.601 -179.872 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 15.7 m0 -100.34 133.14 45.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.455 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.548 ' CZ ' ' SG ' ' A' ' 161' ' ' CYS . 67.6 m-85 -126.18 102.87 7.4 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.234 -1.025 . . . . 0.0 108.234 178.675 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -108.59 140.53 26.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.012 0.434 . . . . 0.0 111.842 -178.22 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.664 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 1.7 p -94.05 -28.95 15.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.923 179.102 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.731 ' CD2' HG22 ' A' ' 31' ' ' THR . 17.8 m95 -112.23 132.92 54.65 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.46 179.815 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -50.13 162.32 0.51 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.249 179.507 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -67.4 144.52 67.93 Favored 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.537 2.158 . . . . 0.0 112.233 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -86.43 -83.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.55 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -101.14 93.16 5.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.303 0.573 . . . . 0.0 109.483 179.431 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.496 ' HB3' ' HB2' ' A' ' 139' ' ' ALA . 21.3 p -45.06 -27.72 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.14 -179.203 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -85.55 -22.13 28.24 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.651 -0.419 . . . . 0.0 111.417 -179.369 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.37 -63.58 1.56 Allowed Glycine 0 CA--C 1.526 0.724 0 C-N-CA 120.362 -0.923 . . . . 0.0 111.182 -179.695 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.04 -69.05 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.912 -179.855 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -55.07 -27.38 44.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.461 -179.831 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -65.6 -54.25 27.01 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 109.89 -1.284 . . . . 0.0 109.89 179.201 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -55.3 -31.52 61.69 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 179.151 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 53.0 t -72.05 -49.47 43.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.922 179.317 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -46.24 -58.89 3.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.887 179.501 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -52.18 -43.34 64.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.084 179.536 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.401 ' O ' ' N ' ' A' ' 117' ' ' ASN . 2.9 t80 -48.19 -55.02 11.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.331 179.679 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.445 ' C ' ' N ' ' A' ' 116' ' ' GLU . 10.6 mp -60.86 -56.69 18.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.373 179.895 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -46.55 -17.6 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.221 179.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.445 ' N ' ' C ' ' A' ' 114' ' ' LEU . 37.5 tt0 -110.36 -21.46 12.19 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.936 -179.891 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.467 ' C ' ' N ' ' A' ' 119' ' ' HIS . 21.0 m120 -132.7 46.1 2.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.941 -179.638 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.9 t -45.65 -16.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.666 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.593 ' CD2' HG23 ' A' ' 120' ' ' VAL . 0.0 OUTLIER -76.21 6.63 5.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.315 179.857 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.593 HG23 ' CD2' ' A' ' 119' ' ' HIS . 39.9 t -125.0 122.25 62.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.299 179.766 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -91.27 148.38 22.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.309 179.944 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 92' ' ' VAL . 0.8 OUTLIER -131.3 128.11 39.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.075 -179.537 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -118.52 117.62 29.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.893 179.262 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 5.5 mt -105.9 127.65 60.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.046 -179.33 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -123.57 107.67 11.79 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.356 179.661 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -83.15 112.29 19.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.492 -179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.664 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -82.58 -46.54 13.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.433 179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.667 ' NH2' HD11 ' A' ' 186' ' ' LEU . 0.0 OUTLIER -132.11 144.61 50.83 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.491 179.773 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.486 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 0.2 OUTLIER -104.29 112.21 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.624 -179.806 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.486 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 24.5 m-85 -155.6 123.51 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.666 179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 1.0 OUTLIER -162.86 -173.7 3.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.473 -179.942 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -90.56 -66.04 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.558 -179.903 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.491 ' C ' ' H ' ' A' ' 135' ' ' LEU . 0.1 OUTLIER -96.81 161.15 27.48 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.44 -179.886 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -69.8 25.16 0.18 Allowed 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.512 2.141 . . . . 0.0 112.088 179.926 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.491 ' H ' ' C ' ' A' ' 133' ' ' ASP . 6.1 mt -62.77 -7.26 4.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.559 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.553 ' CG ' ' N ' ' A' ' 137' ' ' LYS . 2.8 p90 -57.45 -39.73 76.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.627 179.982 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.553 ' N ' ' CG ' ' A' ' 136' ' ' TYR . 18.7 tttt -70.04 -43.32 71.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.597 -179.89 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -52.91 -35.05 57.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.531 -179.863 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.496 ' HB2' ' HB3' ' A' ' 103' ' ' SER . . . -72.43 -50.99 22.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.608 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.9 mt -44.55 -48.47 10.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.39 179.871 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 57.6 mm-40 -70.52 -53.59 15.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.466 179.809 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -48.16 -28.55 3.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.513 179.958 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.698 HD12 ' HB3' ' A' ' 148' ' ' ALA . 1.8 mm? -74.08 -54.12 8.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.425 179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.84 -34.71 2.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.535 179.926 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.56 -25.28 49.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.59 -179.953 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -81.29 -23.94 37.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.621 -179.922 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 84.61 76.96 1.18 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 -179.98 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . 0.698 ' HB3' HD12 ' A' ' 143' ' ' LEU . . . -150.36 172.65 15.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.765 0.317 . . . . 0.0 110.49 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 34.8 tp60 -100.47 112.28 24.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.723 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 2.6 m -119.1 113.74 42.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.43 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 74.1 p -153.23 162.34 41.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.828 -179.789 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 1.2 tp -80.07 134.56 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.326 179.86 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . . . . . . . . . 20.7 mmm -41.23 130.26 2.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.744 -179.841 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.34 159.33 16.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.434 179.867 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -50.77 -48.62 59.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.58 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.88 -60.74 2.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.594 179.971 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.12 -57.76 4.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.574 -179.919 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -42.6 -47.03 5.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.608 -179.93 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -53.79 -48.55 69.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.743 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.611 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.41 -57.41 5.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.719 -179.767 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.611 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 0.1 OUTLIER -53.71 -23.49 11.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.654 -179.924 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 162' ' ' TRP . . . . . 0.613 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 6.5 t-105 -74.24 -70.55 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 -179.742 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . 0.613 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -62.69 -14.17 40.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.093 -179.609 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 160' ' ' HIS . 98.8 m -84.42 -27.3 27.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.1 -179.665 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . 0.59 ' CE1' ' SG ' ' A' ' 34' ' ' CYS . 47.8 m-85 -121.33 18.75 11.43 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.259 -179.584 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.579 HG21 ' CE3' ' A' ' 162' ' ' TRP . 70.7 t -129.47 145.89 35.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.785 0.326 . . . . 0.0 111.171 -179.976 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . 0.4 ' OD1' ' OE1' ' A' ' 169' ' ' GLN . 44.6 t0 -75.97 37.91 0.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.241 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.749 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.6 OUTLIER -37.86 -59.11 0.86 Allowed 'General case' 0 CA--C 1.518 -0.279 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.698 -179.331 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . 0.628 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 2.2 mp0 40.47 18.89 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.003 -179.844 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . 0.749 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 142.64 -0.13 1.4 Allowed Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 179.736 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.612 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 1.0 OUTLIER -115.0 87.01 14.45 Favored Pre-proline 0 CA--C 1.531 0.236 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.686 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -80.82 161.9 21.25 Favored 'Trans proline' 0 C--N 1.314 -1.275 0 C-N-CA 122.262 1.975 . . . . 0.0 112.869 -178.747 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -52.2 139.74 22.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.586 179.872 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -122.33 84.64 47.01 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.71 -179.786 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -49.67 134.06 33.29 Favored 'Trans proline' 0 N--CA 1.493 1.489 0 C-N-CA 122.247 1.964 . . . . 0.0 112.098 -179.865 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 176' ' ' TRP . . . . . 0.472 ' O ' ' N ' ' A' ' 178' ' ' GLY . 8.4 p90 -102.44 144.87 30.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.569 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 177' ' ' ASP . 0.9 OUTLIER -53.38 87.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.576 -179.915 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 176' ' ' TRP . . . 158.8 -29.87 0.44 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . 0.406 ' CD1' ' CZ2' ' A' ' 176' ' ' TRP . 1.8 tp -50.33 -29.78 10.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 110.55 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -71.46 -62.3 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.578 -179.944 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -54.36 -50.9 66.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.597 179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -51.14 -59.72 3.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.547 -179.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 25.9 t -52.86 -33.25 48.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.564 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -60.76 -52.81 63.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.565 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -55.33 -54.36 44.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.593 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . 0.667 HD11 ' NH2' ' A' ' 128' ' ' ARG . 46.3 mt -55.45 -50.23 70.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.526 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 20.1 p -59.24 -37.73 78.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.523 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -53.6 -49.0 59.31 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 8.5 mtm-85 -61.92 -54.05 47.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.602 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.73 -44.91 6.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.367 179.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -65.33 -38.15 89.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.591 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -52.76 -42.12 64.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.677 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . 0.553 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -70.65 -46.92 67.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.667 179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 9.2 mt -62.32 -35.88 80.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.565 179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -96.94 68.1 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.548 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.47 -62.89 1.28 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.552 -179.939 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -96.8 157.59 15.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.547 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -97.06 -84.92 1.76 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 34.6 m-20 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.959 -1.019 . . . . 0.0 110.547 -179.969 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.1 mtm . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -101.55 115.21 30.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.522 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -172.51 -169.38 0.6 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.631 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.0 m 54.79 60.93 9.68 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.629 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -74.05 -61.92 0.04 OUTLIER 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.689 2.259 . . . . 0.0 112.165 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 49.38 -158.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.568 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.38 -158.76 0.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.603 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 168.04 61.52 0.03 OUTLIER Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -74.66 79.3 2.58 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.781 2.321 . . . . 0.0 112.18 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.55 -80.02 0.6 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.454 179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.462 ' C ' HD22 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -144.88 92.34 2.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.416 -179.959 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.872 HD22 ' N ' ' A' ' 12' ' ' LEU . 0.9 OUTLIER -108.66 161.34 15.18 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.99 -179.9 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -78.4 166.14 22.98 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.278 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -83.12 147.85 54.97 Favored Pre-proline 0 C--N 1.328 -0.357 0 C-N-CA 120.654 -0.418 . . . . 0.0 110.492 -179.697 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.424 ' O ' ' OG1' ' A' ' 19' ' ' THR . 75.2 Cg_exo -40.21 -53.19 2.65 Favored 'Trans proline' 0 N--CA 1.489 1.22 0 C-N-CA 122.219 1.946 . . . . 0.0 112.102 179.661 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.488 ' ND1' ' OG ' ' A' ' 20' ' ' SER . 0.0 OUTLIER -60.8 -52.47 64.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.049 -179.631 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.403 ' N ' ' CG ' ' A' ' 16' ' ' HIS . 2.9 mm -48.65 -33.73 5.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.513 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -82.42 -61.15 1.97 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.716 -179.899 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.6 OUTLIER -50.33 -26.5 4.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.599 -179.875 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.488 ' OG ' ' ND1' ' A' ' 16' ' ' HIS . 42.7 m -78.37 -53.52 7.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.483 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.532 HD22 HH22 ' A' ' 28' ' ' ARG . 20.9 m120 -69.03 0.36 4.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.488 -179.935 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -133.1 8.75 4.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.467 179.943 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 24' ' ' ASN . 0.1 OUTLIER -77.13 115.93 17.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.62 -179.999 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.584 ' ND2' ' CE2' ' A' ' 176' ' ' TRP . 0.2 OUTLIER -42.24 165.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.554 179.962 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.06 58.26 11.31 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.876 -0.89 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.9 pt -72.01 -177.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 110.571 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.92 31.34 0.02 OUTLIER Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.532 HH22 HD22 ' A' ' 21' ' ' ASN . 0.2 OUTLIER -137.29 169.39 17.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.714 0.292 . . . . 0.0 110.444 -179.95 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -112.34 84.36 1.96 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.539 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.2 tttt -171.58 48.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.597 -179.926 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 13.9 t -46.98 162.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.24 -179.83 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.52 ' CE1' ' OD1' ' A' ' 21' ' ' ASN . 1.0 OUTLIER -115.24 145.03 42.83 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.37 179.67 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.636 HD23 ' C ' ' A' ' 33' ' ' LEU . 5.7 tt -137.64 119.68 15.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.56 -179.726 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.612 ' N ' HD23 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -113.67 133.9 55.05 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.317 179.626 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.569 ' CG ' ' CE1' ' A' ' 75' ' ' PHE . 30.4 p90 -122.8 134.68 54.41 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.728 -179.802 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -129.7 137.51 50.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.258 179.74 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -95.84 136.02 28.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 121.012 0.434 . . . . 0.0 110.545 179.916 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -140.3 118.07 11.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.521 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.585 HH12 ' CB ' ' A' ' 88' ' ' GLN . 11.6 ttm-85 -79.86 132.24 36.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.259 179.727 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.8 mt -98.73 121.72 41.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.507 -179.761 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -138.67 102.42 4.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.523 -179.895 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 t30 61.69 25.23 15.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.556 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.62 -17.29 58.6 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.919 -0.872 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.8 m -75.73 117.03 17.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.813 0.34 . . . . 0.0 110.581 -179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.03 108.82 21.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.646 179.932 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 96.0 t -101.23 111.6 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.548 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.412 ' NZ ' ' CB ' ' A' ' 47' ' ' LYS . 6.0 ttpm? -84.95 137.92 32.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.582 179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 9.7 mtt -97.99 154.74 17.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.707 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.1 -50.38 4.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.853 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -91.83 70.95 5.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.598 -179.916 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.518 ' O ' ' ND1' ' A' ' 51' ' ' HIS . 39.3 t-80 -173.76 -13.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.453 -179.735 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.411 ' H ' ' HG2' ' A' ' 52' ' ' ARG . 36.0 ptt85 -100.82 170.79 8.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.601 -179.909 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -172.2 -163.38 25.98 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.457 ' CD1' ' N ' ' A' ' 54' ' ' PHE . 12.4 p90 -155.66 163.16 40.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 0.0 110.657 -179.953 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 mt -146.32 177.72 8.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.511 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.424 ' ND1' ' N ' ' A' ' 56' ' ' HIS . 0.0 OUTLIER -140.29 148.91 42.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.586 179.967 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 58' ' ' GLN . 25.5 t30 -75.38 153.47 37.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.602 -179.896 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.44 ' N ' ' OD1' ' A' ' 57' ' ' ASN . 2.1 tt0 49.72 76.33 0.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.746 -179.951 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.408 ' HB3' ' OH ' ' A' ' 67' ' ' TYR . . . -98.71 -2.89 37.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.414 179.885 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 53.48 101.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.828 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.511 ' C ' ' H ' ' A' ' 63' ' ' LEU . 1.0 OUTLIER -122.93 116.29 23.36 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.757 179.874 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.558 ' CD1' ' N ' ' A' ' 62' ' ' LEU . 6.6 mp -68.22 6.98 0.65 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.098 -179.611 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.511 ' H ' ' C ' ' A' ' 61' ' ' ASN . 2.8 tt -48.06 -50.45 27.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.228 179.259 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -113.59 -0.2 14.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.469 179.833 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 66' ' ' PHE . . . 104.81 -19.05 42.35 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.864 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.455 ' CB ' ' O ' ' A' ' 65' ' ' GLY . 0.5 OUTLIER 164.47 109.74 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.721 0.296 . . . . 0.0 110.575 -179.998 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.408 ' OH ' ' HB3' ' A' ' 59' ' ' ALA . 3.4 p90 -117.2 156.5 27.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.486 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -135.62 89.19 0.23 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -135.73 145.61 46.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.778 0.323 . . . . 0.0 110.495 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.634 ' H ' ' CD2' ' A' ' 70' ' ' HIS . 0.0 OUTLIER -77.21 154.26 33.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.652 -179.949 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -47.77 -22.96 0.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.452 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -63.16 -61.88 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.476 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 8.7 mp -54.86 -47.2 74.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.489 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.1 mmt180 -58.64 -40.06 82.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.542 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.569 ' CE1' ' CG ' ' A' ' 35' ' ' TYR . 41.9 t80 -73.97 -26.48 60.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.654 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.5 mt -70.65 -26.85 63.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.932 0.396 . . . . 0.0 110.196 179.73 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -74.44 -17.9 60.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.501 179.812 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.7 mt -79.72 -8.45 59.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.653 -179.939 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 5.2 t -46.22 -60.05 4.11 Favored Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.106 -179.833 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -54.53 -24.64 37.15 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 121.742 1.628 . . . . 0.0 111.778 179.168 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.5 -8.76 55.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.902 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 8.0 mp -105.88 -41.47 5.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.607 -179.706 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 61.57 51.97 3.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.515 179.84 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.5 mt -47.38 155.95 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.561 -179.975 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.486 ' C ' ' H ' ' A' ' 87' ' ' ALA . 0.9 OUTLIER -115.99 85.19 14.53 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.602 -179.895 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -48.55 -8.02 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.42 2.08 . . . . 0.0 112.309 -179.877 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.486 ' H ' ' C ' ' A' ' 85' ' ' ASP . . . -52.36 -18.75 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.508 179.826 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.585 ' CB ' HH12 ' A' ' 39' ' ' ARG . 0.1 OUTLIER -144.68 -170.72 3.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.527 179.956 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.5 mm -93.8 152.76 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.953 0.406 . . . . 0.0 110.546 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -141.68 172.27 12.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.772 -179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -154.06 119.67 5.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.427 -179.672 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.32 136.25 44.49 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.3 179.641 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.3 m -111.47 122.21 47.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.918 -179.552 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -102.01 132.87 47.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.046 179.378 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -120.82 102.91 8.69 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 178.618 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.03 142.23 27.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.919 -178.029 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.641 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 3.6 p -89.12 -31.63 17.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.38 178.657 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.581 ' CZ3' ' CD1' ' A' ' 130' ' ' TYR . 12.6 m95 -110.59 146.93 35.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.438 179.715 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.426 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.4 OUTLIER -69.42 149.86 97.13 Favored Pre-proline 0 CA--C 1.534 0.36 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.743 -179.444 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.426 ' O ' ' O ' ' A' ' 99' ' ' SER . 51.8 Cg_exo -43.43 173.15 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.316 0 C-N-CA 122.244 1.962 . . . . 0.0 112.422 179.507 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 103' ' ' SER . 0.0 OUTLIER -112.39 -147.2 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.792 179.396 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.519 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -41.76 100.04 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 121.266 0.555 . . . . 0.0 109.596 179.373 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.899 ' O ' ' HB3' ' A' ' 107' ' ' ALA . 94.2 p -39.1 -23.98 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.789 -179.91 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.513 ' N ' ' O ' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -84.18 -30.99 25.36 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.625 -179.095 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -74.39 -62.11 2.99 Favored Glycine 0 CA--C 1.528 0.865 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.307 -179.632 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -76.98 -69.08 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.672 0.273 . . . . 0.0 111.254 -179.557 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.899 ' HB3' ' O ' ' A' ' 103' ' ' SER . . . -48.12 -30.21 4.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.904 -179.452 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -66.82 -61.99 4.85 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.53 -1.028 . . . . 0.0 110.53 179.812 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -54.04 -48.58 70.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.96 0.409 . . . . 0.0 110.333 179.735 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.12 -49.19 85.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.479 179.895 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -47.28 -59.11 3.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.25 179.908 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -48.11 -40.55 23.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.356 179.869 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -59.82 -50.34 74.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.618 179.928 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 56.8 mt -63.74 -32.77 74.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.534 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -64.82 -29.98 70.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.506 -179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -110.15 13.58 23.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.058 -179.822 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.516 ' O ' ' N ' ' A' ' 119' ' ' HIS . 1.2 t30 -157.09 29.32 0.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.994 0.426 . . . . 0.0 110.845 -179.907 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.403 ' C ' ' H ' ' A' ' 120' ' ' VAL . 12.8 t -47.07 -10.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.349 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.524 ' CE1' ' O ' ' A' ' 88' ' ' GLN . 0.1 OUTLIER -75.89 13.54 0.83 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.885 0.374 . . . . 0.0 110.632 -179.934 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.489 ' O ' HG23 ' A' ' 120' ' ' VAL . 2.4 m -134.93 127.0 47.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.457 179.501 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -91.37 110.85 22.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.151 179.902 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 13.3 tp -109.16 112.46 24.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.77 -179.528 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.21 158.06 16.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.146 179.5 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 20.1 mt -126.21 140.01 49.93 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.917 -179.745 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 72.0 m-85 -124.46 97.98 5.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.513 179.692 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -81.44 111.03 17.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.335 179.855 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.641 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -82.75 -52.05 7.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 -179.653 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.644 ' CA ' ' HE ' ' A' ' 128' ' ' ARG . 0.0 OUTLIER -121.43 162.4 20.51 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.803 0.335 . . . . 0.0 110.637 -179.835 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.46 142.05 42.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.753 -179.883 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.581 ' CD1' ' CZ3' ' A' ' 98' ' ' TRP . 6.1 t80 -97.18 -140.43 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.877 179.148 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -163.93 21.78 0.07 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.638 179.822 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . 0.439 ' CG ' ' O ' ' A' ' 132' ' ' TYR . 62.8 t80 -106.83 -1.48 22.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.639 -179.934 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.471 ' C ' ' H ' ' A' ' 135' ' ' LEU . 16.4 m-20 -137.29 70.04 54.87 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.616 -179.903 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -50.68 -6.74 0.1 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.745 2.297 . . . . 0.0 112.142 179.891 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.471 ' H ' ' C ' ' A' ' 133' ' ' ASP . 5.9 mp -78.4 -3.42 43.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.622 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.592 ' CG ' ' N ' ' A' ' 137' ' ' LYS . 12.6 p90 -42.46 -44.7 4.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.628 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.592 ' N ' ' CG ' ' A' ' 136' ' ' TYR . 13.8 pttp -66.4 -37.54 85.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.579 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -59.64 -49.65 76.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.603 -179.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -57.51 -42.02 81.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.587 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.7 mp -50.93 -58.86 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.571 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -65.57 -46.47 79.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.564 -179.903 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -44.57 -33.01 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.416 -179.912 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' A' ' 146' ' ' ALA . 1.4 mp -82.32 -45.37 15.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.611 179.977 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -45.35 -28.39 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.45 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -83.89 -26.43 29.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.587 179.903 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -77.08 -22.19 53.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.656 179.967 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 105.35 -6.67 42.52 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.89 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -66.25 -176.69 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.717 0.294 . . . . 0.0 110.541 179.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -129.6 136.44 49.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.612 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 2.3 m -132.13 127.33 57.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.546 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.8 m -153.14 162.19 41.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.716 -179.939 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . 0.575 HG21 ' OG ' ' A' ' 187' ' ' SER . 1.0 OUTLIER -84.16 134.15 27.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.529 179.903 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.588 ' SD ' ' CE2' ' A' ' 158' ' ' PHE . 10.4 ttt -52.6 134.07 35.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.614 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.51 163.67 12.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.586 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -58.92 -39.64 82.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.695 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -59.69 -58.13 9.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.54 -179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -53.9 -29.42 41.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.48 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.588 ' CE2' ' SD ' ' A' ' 153' ' ' MET . 0.3 OUTLIER -65.85 -41.4 91.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.564 179.905 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 12.1 tttm -61.22 -48.69 80.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.605 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.602 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -69.32 -51.34 38.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.586 -179.931 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.602 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 9.2 t -58.87 -23.65 61.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.67 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 162' ' ' TRP . . . . . 0.627 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 2.7 t-105 -72.32 -66.34 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.796 -179.755 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . 0.627 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -64.4 -14.23 55.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.282 -179.457 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 93.9 m -86.39 -22.54 26.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.353 -179.507 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -121.33 18.36 11.44 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.596 -0.275 . . . . 0.0 111.376 -179.449 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.526 ' C ' ' H ' ' A' ' 168' ' ' HIS . 43.5 t -140.74 135.48 34.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.935 0.398 . . . . 0.0 110.687 179.549 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . 0.485 ' CG ' HE21 ' A' ' 169' ' ' GLN . 0.6 OUTLIER -70.86 37.43 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.314 -179.964 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.713 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.2 OUTLIER -48.29 -13.61 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.414 -179.959 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . 0.485 HE21 ' CG ' ' A' ' 167' ' ' ASP . 6.6 mt-30 41.64 19.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.802 179.802 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . 0.713 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 113.64 37.32 1.31 Allowed Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 179.651 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.592 ' H ' ' CG ' ' A' ' 168' ' ' HIS . 1.5 m -127.12 80.45 71.55 Favored Pre-proline 0 N--CA 1.463 0.19 0 CA-C-O 120.629 0.252 . . . . 0.0 110.535 179.72 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -52.43 148.33 26.64 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.512 2.141 . . . . 0.0 112.182 179.873 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.46 ' CE1' ' O ' ' A' ' 174' ' ' GLN . 0.1 OUTLIER -99.27 119.12 37.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.409 179.922 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.46 ' O ' ' CE1' ' A' ' 173' ' ' PHE . 0.0 OUTLIER -85.38 151.2 55.95 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.388 -179.834 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.56 141.97 35.56 Favored 'Trans proline' 0 N--CA 1.494 1.506 0 C-N-CA 122.167 1.911 . . . . 0.0 112.015 179.808 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 176' ' ' TRP . . . . . 0.584 ' CE2' ' ND2' ' A' ' 24' ' ' ASN . 2.0 p90 -91.5 178.73 5.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.469 179.862 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -73.81 92.42 2.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.525 179.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 147.49 -45.44 0.76 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.934 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . . . . . . . . . 4.5 tp -41.44 -34.22 0.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 110.63 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.05 -62.66 1.3 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.658 -179.885 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -59.48 -60.4 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.65 179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -42.02 -49.84 4.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.562 179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 19.8 m -53.95 -42.25 68.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.564 -179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -41.82 98.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.652 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -68.02 -54.48 18.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.542 179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 9.0 mt -49.47 -54.25 18.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.609 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . 0.575 ' OG ' HG21 ' A' ' 152' ' ' ILE . 22.6 m -61.0 -46.98 88.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.593 -179.947 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -49.04 -47.49 32.52 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . 0.508 ' O ' ' HB3' ' A' ' 192' ' ' ALA . 49.7 ttm-85 -58.98 -61.6 2.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.809 0.338 . . . . 0.0 110.591 179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . . . . . . . . . 1.9 tp -48.21 -49.1 34.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.501 -179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 11.7 mtp180 -55.37 -30.28 60.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.517 179.987 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . 0.508 ' HB3' ' O ' ' A' ' 189' ' ' ARG . . . -65.79 -50.8 63.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.513 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . 0.535 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -53.62 -49.33 56.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.565 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 5.7 mt -64.7 -30.65 71.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.547 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -87.52 84.13 7.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.552 -179.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -141.03 60.4 1.51 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.582 179.932 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -80.47 -158.21 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.528 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 102.95 45.66 1.58 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.595 179.991 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.5 ttt . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.83 169.96 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.566 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.09 18.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.61 179.922 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 p -147.23 67.21 10.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.519 -179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -47.53 155.62 1.31 Allowed 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.838 2.359 . . . . 0.0 112.146 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -164.28 -93.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.519 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.37 149.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.58 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.411 ' O ' ' OE1' ' A' ' 169' ' ' GLN . . . -166.36 172.66 41.7 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -72.84 85.37 1.17 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.761 2.307 . . . . 0.0 112.066 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.493 ' NH1' ' OD2' ' A' ' 49' ' ' ASP . 26.5 mtp180 -99.66 156.91 16.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.573 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.585 ' H ' ' CD2' ' A' ' 11' ' ' HIS . 0.4 OUTLIER -94.74 86.95 4.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.486 179.901 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 166' ' ' VAL . 6.7 mp -99.98 174.65 6.08 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.382 -179.923 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.519 ' SD ' ' CE1' ' A' ' 54' ' ' PHE . 2.4 tpp -62.06 122.54 15.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.033 179.808 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.12 136.53 28.87 Favored Pre-proline 0 CA--C 1.537 0.446 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.724 -179.241 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.408 ' O ' ' OG1' ' A' ' 19' ' ' THR . 87.0 Cg_exo -40.06 -55.5 1.75 Allowed 'Trans proline' 0 N--CA 1.492 1.391 0 C-N-CA 122.176 1.917 . . . . 0.0 112.402 179.656 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -59.81 -50.1 75.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.277 -179.39 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 mm -48.59 -44.65 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.734 -179.583 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -68.13 -60.95 2.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.609 -179.897 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -50.66 -26.43 5.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.706 -179.78 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.2 t -78.64 -56.51 4.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.507 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.559 ' ND2' ' CE1' ' A' ' 32' ' ' TYR . 1.9 m120 -63.18 -13.97 43.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.526 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -132.47 32.68 3.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.478 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -69.49 -3.06 13.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.519 179.934 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 61.92 130.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.553 179.932 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.715 ' H ' ' NH1' ' A' ' 128' ' ' ARG . . . 100.85 22.65 10.7 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 pp -78.47 -165.04 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.77 0.319 . . . . 0.0 110.62 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 176.45 -24.87 0.06 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -159.17 120.09 3.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 0.0 110.472 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -175.49 -82.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.63 179.898 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -173.48 108.74 0.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.762 -179.928 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.734 HG22 ' CG ' ' A' ' 98' ' ' TRP . 47.6 p -47.19 133.97 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.559 ' CE1' ' ND2' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -108.64 140.23 42.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.335 179.817 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.407 HD12 ' N ' ' A' ' 34' ' ' CYS . 9.4 tp -142.09 111.78 6.7 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.463 -179.887 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.407 ' N ' HD12 ' A' ' 33' ' ' LEU . 0.0 OUTLIER -102.29 147.03 27.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.021 179.407 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -133.19 134.44 44.08 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.992 0.425 . . . . 0.0 111.053 -179.55 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.496 ' OE1' HG21 ' A' ' 164' ' ' THR . 1.6 mt-10 -134.56 132.01 38.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.029 179.589 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -101.0 144.07 13.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.027 0.441 . . . . 0.0 110.892 -179.679 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -143.87 118.25 9.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.271 179.91 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -86.4 141.02 29.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.713 -179.823 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.609 HD22 ' N ' ' A' ' 40' ' ' LEU . 3.6 mm? -75.01 148.7 39.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.412 -179.942 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -152.92 96.9 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.571 179.908 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 52.96 49.6 19.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.638 179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.03 -6.08 22.45 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 179.878 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.9 m -102.74 117.39 34.54 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.882 0.373 . . . . 0.0 110.598 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.4 p -78.26 144.91 35.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.429 179.772 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.5 t -136.26 118.18 20.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.677 -179.863 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.79 150.03 28.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.39 179.919 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.43 ' O ' ' NH1' ' A' ' 52' ' ' ARG . 51.5 mtt -97.74 158.9 15.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.721 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.493 ' OD2' ' NH1' ' A' ' 10' ' ' ARG . 1.4 m-20 -97.02 -50.35 4.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.759 -179.926 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -102.31 76.58 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.456 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.669 ' CE1' HD21 ' A' ' 82' ' ' LEU . 48.8 t-80 -172.94 -10.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.423 -179.721 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.43 ' NH1' ' O ' ' A' ' 48' ' ' MET . 6.0 ptp85 -100.88 171.05 7.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.623 179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -176.65 -163.78 29.53 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.94 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.519 ' CE1' ' SD ' ' A' ' 13' ' ' MET . 42.3 p90 -165.92 146.57 6.66 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.904 0.383 . . . . 0.0 110.736 179.997 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.802 HD23 ' N ' ' A' ' 55' ' ' LEU . 1.3 pt? -155.4 157.62 37.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.54 -179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.509 ' ND1' ' N ' ' A' ' 56' ' ' HIS . 0.2 OUTLIER -108.97 170.36 8.1 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.74 -179.934 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.518 ' N ' ' HB2' ' A' ' 71' ' ' ALA . 30.8 p-10 -79.16 -167.86 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.602 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.624 ' O ' ' HB3' ' A' ' 59' ' ' ALA . 24.2 mt-30 54.6 -84.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.641 179.92 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.624 ' HB3' ' O ' ' A' ' 58' ' ' GLN . . . 77.31 -149.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.579 -179.98 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 30.6 mmtt -134.89 61.25 1.68 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.563 -179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.534 HD21 ' CZ ' ' A' ' 74' ' ' ARG . 4.1 m-20 -103.14 48.11 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.514 -179.908 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.544 ' N ' HD12 ' A' ' 62' ' ' LEU . 10.4 mp -77.16 -19.11 57.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.611 179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.455 ' N ' HD12 ' A' ' 63' ' ' LEU . 10.4 mp -67.7 -46.13 73.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.522 179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 13.9 t -97.69 -15.97 20.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.568 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.65 19.42 79.15 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.91 -21.11 61.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.586 179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.462 ' CD1' ' C ' ' A' ' 67' ' ' TYR . 13.7 p90 -56.33 136.22 53.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.597 -179.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.4 17.76 0.96 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.3 mtt180 -136.75 144.15 43.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.758 0.313 . . . . 0.0 110.514 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.717 ' H ' ' CD2' ' A' ' 70' ' ' HIS . 0.2 OUTLIER -50.05 165.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.473 179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.518 ' HB2' ' N ' ' A' ' 57' ' ' ASN . . . -77.1 -22.85 52.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.484 179.879 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -56.57 -51.13 69.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.672 -179.936 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.2 mp -58.65 -56.7 18.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.532 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.534 ' CZ ' HD21 ' A' ' 61' ' ' ASN . 15.6 ttt180 -59.39 -21.78 60.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.691 179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.819 ' O ' HD12 ' A' ' 78' ' ' LEU . 2.0 t80 -80.64 -34.65 34.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.827 -179.817 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.496 HD12 ' OE1' ' A' ' 109' ' ' GLU . 81.1 mt -69.24 -30.46 68.61 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.844 0.354 . . . . 0.0 110.477 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.82 -16.54 1.03 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.542 179.778 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.991 HD13 ' N ' ' A' ' 79' ' ' VAL . 0.0 OUTLIER -76.99 -14.23 59.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.245 -179.279 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.991 ' N ' HD13 ' A' ' 78' ' ' LEU . 6.4 t -41.29 -60.63 1.68 Allowed Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.683 179.885 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.81 -33.39 50.42 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 121.913 1.742 . . . . 0.0 112.001 179.633 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.71 -8.18 9.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.669 HD21 ' CE1' ' A' ' 51' ' ' HIS . 4.1 mp -113.02 -47.79 3.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.272 -179.12 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 59.3 43.48 16.73 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -178.904 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.5 mt -35.96 155.99 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.476 -179.469 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 87' ' ' ALA . 3.7 m-20 -114.71 86.1 12.43 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.122 179.792 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.428 ' C ' ' N ' ' A' ' 88' ' ' GLN . 79.3 Cg_exo -45.26 -10.53 0.04 OUTLIER 'Trans proline' 0 N--CA 1.493 1.459 0 C-N-CA 122.317 2.012 . . . . 0.0 112.56 -179.347 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.531 ' N ' ' O ' ' A' ' 85' ' ' ASP . . . -47.07 -20.17 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.912 0.387 . . . . 0.0 110.174 179.649 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -141.59 176.8 8.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.247 179.832 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 9.3 mm -91.65 154.22 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.029 0.442 . . . . 0.0 110.825 -179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -137.41 165.96 24.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.609 179.892 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -135.63 105.29 6.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.598 -179.884 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.9 t -93.54 117.97 38.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.257 179.846 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.41 119.03 37.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.06 -179.561 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.439 ' CD2' HD11 ' A' ' 122' ' ' LEU . 19.4 m0 -100.69 132.91 45.85 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.191 179.601 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -125.66 103.33 7.78 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 178.865 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.89 143.58 22.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.843 -178.275 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.65 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 0.6 OUTLIER -97.08 -22.03 17.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.441 178.721 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' TRP . . . . . 0.734 ' CG ' HG22 ' A' ' 31' ' ' THR . 12.9 m95 -111.94 139.81 47.13 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.367 179.898 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 100' ' ' PRO . 0.5 OUTLIER -67.73 159.57 77.99 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.765 -179.691 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' A' ' 99' ' ' SER . 53.6 Cg_exo -42.49 173.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.314 -1.287 0 C-N-CA 122.648 2.232 . . . . 0.0 112.475 179.53 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -131.26 -54.95 1.03 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.394 179.691 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.517 ' O ' ' N ' ' A' ' 105' ' ' GLY . 0.1 OUTLIER -132.29 107.24 8.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.793 179.566 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.528 ' O ' ' N ' ' A' ' 108' ' ' GLY . 82.7 p -43.33 -33.61 1.04 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.938 -179.682 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -84.63 -21.77 30.16 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.995 -179.646 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 102' ' ' PHE . . . -85.86 -63.74 1.52 Allowed Glycine 0 CA--C 1.525 0.698 0 C-N-CA 120.275 -0.964 . . . . 0.0 110.833 179.889 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 106' ' ' CYS . . . . . 0.818 ' O ' HG23 ' A' ' 110' ' ' VAL . 0.0 OUTLIER -79.32 -69.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.765 0.317 . . . . 0.0 111.067 179.971 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.55 -24.73 61.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.777 -179.596 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 103' ' ' SER . . . -69.13 -60.11 5.41 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 179.918 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.496 ' OE1' HD12 ' A' ' 76' ' ' LEU . 5.5 mt-10 -60.12 -20.77 59.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.972 0.415 . . . . 0.0 110.384 179.836 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 106' ' ' CYS . 92.1 t -74.02 -61.92 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.919 -179.905 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.448 ' CG ' ' N ' ' A' ' 112' ' ' ALA . 0.0 OUTLIER -57.07 -42.01 79.84 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.155 -179.743 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.448 ' N ' ' CG ' ' A' ' 111' ' ' ARG . . . -51.8 -54.56 27.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.188 179.635 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.445 ' O ' ' N ' ' A' ' 117' ' ' ASN . 5.3 t80 -49.34 -43.62 43.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.199 179.63 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.448 ' C ' ' N ' ' A' ' 116' ' ' GLU . 4.4 mp -65.71 -55.83 15.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.28 179.692 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 -46.57 -19.41 0.09 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.05 179.573 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 114' ' ' LEU . 15.1 tt0 -110.04 -23.11 11.48 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.996 -179.939 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 113' ' ' PHE . 81.2 m-20 -141.7 55.19 1.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.998 -179.708 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.4 ' C ' ' H ' ' A' ' 120' ' ' VAL . 0.1 OUTLIER -53.81 -9.29 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.787 -179.98 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.499 ' O ' ' ND1' ' A' ' 119' ' ' HIS . 5.0 p80 -76.43 14.15 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.59 -179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.421 ' CG2' ' CE1' ' A' ' 119' ' ' HIS . 58.5 t -132.34 133.94 59.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.48 179.939 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.54 148.34 22.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.514 -179.882 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.439 HD11 ' CD2' ' A' ' 94' ' ' TRP . 0.1 OUTLIER -129.16 112.27 13.78 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.341 -179.991 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -114.13 117.93 32.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.961 179.522 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 42.3 mt -105.81 130.77 56.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.302 -179.214 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.413 ' CZ ' ' OE2' ' A' ' 157' ' ' GLU . 87.7 m-85 -121.79 97.82 5.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.225 179.392 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -78.14 108.56 11.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.88 0.371 . . . . 0.0 110.428 -179.873 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.65 ' HB3' ' HA ' ' A' ' 97' ' ' SER . . . -80.23 -44.6 19.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.73 -179.92 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.715 ' NH1' ' H ' ' A' ' 25' ' ' GLY . 0.0 OUTLIER -131.32 145.36 51.83 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.813 0.339 . . . . 0.0 110.588 179.88 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.522 ' O ' ' CD2' ' A' ' 130' ' ' TYR . 1.5 mt -102.31 117.05 47.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.666 -179.894 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.522 ' CD2' ' O ' ' A' ' 129' ' ' ILE . 14.2 m-85 -159.83 115.85 2.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.478 179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -139.72 176.82 8.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.532 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -102.26 -13.71 17.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.594 -179.928 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.12 160.83 32.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.518 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.22 7.81 0.77 Allowed 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 122.517 2.145 . . . . 0.0 112.158 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.19 -17.72 58.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.557 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 136' ' ' TYR . . . . . 0.601 ' CD1' ' N ' ' A' ' 137' ' ' LYS . 0.6 OUTLIER -54.56 -28.74 48.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.599 -179.977 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.601 ' N ' ' CD1' ' A' ' 136' ' ' TYR . 25.9 ttmt -63.53 -59.22 4.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.588 -179.964 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -48.46 -44.18 35.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.519 -179.999 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -51.17 -55.81 16.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.601 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.4 mp -49.02 -42.89 39.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.537 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.75 -52.75 48.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.537 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 142' ' ' MET . . . . . 0.493 ' SD ' ' O ' ' A' ' 103' ' ' SER . 0.6 OUTLIER -46.87 -27.17 1.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.544 -179.967 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.48 ' O ' ' N ' ' A' ' 146' ' ' ALA . 4.9 mt -82.13 -58.8 2.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.536 -179.984 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -46.28 -21.99 0.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.624 -179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . 0.403 ' N ' ' C ' ' A' ' 143' ' ' LEU . 0.8 OUTLIER -85.16 -28.98 25.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.704 179.997 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 143' ' ' LEU . . . -77.31 -24.09 50.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.567 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 97.52 10.84 52.89 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -76.63 176.1 8.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.728 0.299 . . . . 0.0 110.567 -179.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -105.71 129.24 53.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.58 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 150' ' ' VAL . . . . . . . . . . . . . 1.1 t -132.14 111.47 18.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.487 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 76.5 p -147.26 162.25 39.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.628 -179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 152' ' ' ILE . . . . . . . . . . . . . 2.3 mt -84.94 133.64 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.505 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 153' ' ' MET . . . . . 0.566 ' SD ' ' CZ ' ' A' ' 158' ' ' PHE . 2.6 ttt -50.11 121.65 5.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.576 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 6.3 p -101.67 -178.6 3.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.561 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 155' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -61.32 -55.18 34.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.67 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -50.15 -42.11 50.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.684 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.413 ' OE2' ' CZ ' ' A' ' 125' ' ' PHE . 6.3 mm-40 -67.49 -35.48 79.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.578 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.566 ' CZ ' ' SD ' ' A' ' 153' ' ' MET . 1.0 OUTLIER -63.1 -45.32 92.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.55 -179.937 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -59.5 -45.39 91.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.608 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 160' ' ' HIS . . . . . 0.614 ' CG ' ' N ' ' A' ' 161' ' ' CYS . 0.0 OUTLIER -66.92 -57.62 6.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.444 179.891 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.614 ' N ' ' CG ' ' A' ' 160' ' ' HIS . 6.8 t -55.98 -23.54 33.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.719 -179.902 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 162' ' ' TRP . . . . . 0.623 ' CD1' ' N ' ' A' ' 163' ' ' ASP . 7.2 t-105 -73.87 -71.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.01 -179.62 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 163' ' ' ASP . . . . . 0.623 ' N ' ' CD1' ' A' ' 162' ' ' TRP . 0.0 OUTLIER -62.7 -14.33 42.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.245 -179.627 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . 0.496 HG21 ' OE1' ' A' ' 36' ' ' GLU . 52.4 m -82.95 -27.28 30.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.238 -179.612 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 165' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -121.36 9.68 10.4 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 116.592 -0.277 . . . . 0.0 111.518 -179.436 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.568 ' C ' ' H ' ' A' ' 168' ' ' HIS . 73.1 t -122.2 143.24 35.54 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.298 0 CA-C-O 120.985 0.422 . . . . 0.0 111.217 179.821 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 167' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -71.35 36.19 0.05 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.626 178.923 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 168' ' ' HIS . . . . . 0.715 ' CD2' ' H ' ' A' ' 170' ' ' GLY . 0.7 OUTLIER -43.0 -59.14 2.13 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.794 179.941 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 169' ' ' GLN . . . . . 0.63 ' N ' ' CD2' ' A' ' 168' ' ' HIS . 7.5 mt-30 42.88 15.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.113 179.669 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 170' ' ' GLY . . . . . 0.715 ' H ' ' CD2' ' A' ' 168' ' ' HIS . . . 144.34 0.4 1.01 Allowed Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 179.784 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 171' ' ' CYS . . . . . 0.624 ' N ' ' ND1' ' A' ' 168' ' ' HIS . 3.9 m -115.32 88.81 19.46 Favored Pre-proline 0 CA--C 1.531 0.228 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 179.72 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 172' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -82.19 149.62 15.34 Favored 'Trans proline' 0 C--N 1.313 -1.34 0 C-N-CA 122.383 2.056 . . . . 0.0 112.371 -179.425 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 173' ' ' PHE . . . . . 0.478 ' CE1' ' O ' ' A' ' 174' ' ' GLN . 0.4 OUTLIER -99.75 118.94 37.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.465 -179.952 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 174' ' ' GLN . . . . . 0.478 ' O ' ' CE1' ' A' ' 173' ' ' PHE . 4.4 mp0 -81.34 155.99 71.53 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.422 -179.936 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -69.0 134.47 29.65 Favored 'Trans proline' 0 N--CA 1.492 1.428 0 C-N-CA 122.288 1.992 . . . . 0.0 112.152 -179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 176' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -74.78 172.63 11.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.468 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 177' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.95 102.34 13.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.464 179.933 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 178' ' ' GLY . . . . . . . . . . . . . . . 137.84 -6.48 3.48 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 179' ' ' LEU . . . . . 0.564 ' O ' HD23 ' A' ' 179' ' ' LEU . 0.9 OUTLIER -54.19 -43.22 70.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.324 . . . . 0.0 110.522 179.982 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 180' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -62.92 -62.58 1.62 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.589 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -51.48 -57.17 9.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 182' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -49.8 -56.02 11.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.602 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 183' ' ' SER . . . . . . . . . . . . . 23.5 t -50.14 -47.82 54.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.577 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 184' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -60.91 -32.79 72.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.539 -179.931 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 185' ' ' ALA . . . . . . . . . . . . . . . -68.77 -55.85 9.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.546 -179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 26.7 mt -65.01 -57.72 7.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.562 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 187' ' ' SER . . . . . . . . . . . . . 59.9 p -46.09 -38.17 7.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.6 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -63.71 -50.03 64.43 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.962 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 7.9 tpp180 -47.05 -51.61 17.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.834 0.35 . . . . 0.0 110.547 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 190' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 192' ' ' ALA . 0.5 OUTLIER -59.46 -61.86 2.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.614 -179.967 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 1.8 ttm105 -46.55 -16.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.536 179.982 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 190' ' ' LEU . . . -94.32 -52.44 4.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.717 -179.983 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.5 tp -62.57 -26.57 40.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.637 -179.874 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.438 HD12 HD22 ' A' ' 190' ' ' LEU . 1.0 OUTLIER -89.45 -24.59 21.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.575 -179.972 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 195' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -136.17 100.15 4.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.579 -179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 196' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -52.17 132.71 33.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.625 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 -98.59 173.98 6.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.53 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . -145.56 43.1 0.94 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 199' ' ' ASN . . . . . . . . . . . . . 10.1 p30 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.534 -179.964 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_